9YV

4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide

Created: 2017-06-27
Last modified:  2017-10-11

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Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count0
Bond Count67
Aromatic Bond Count18
2D diagram of 9YV
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Chemical Component Summary

Name4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)6-[[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]amino]-4-[(phenylmethyl)amino]pyridine-3-carboxamide
FormulaC26 H30 N6 O2
Molecular Weight458.555
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c2(C(=O)NC1CCN(CC1)C)ccc(cc2)Nc3ncc(c(c3)NCc4ccccc4)C(=O)N
SMILESCACTVS3.385CN1CCC(CC1)NC(=O)c2ccc(Nc3cc(NCc4ccccc4)c(cn3)C(N)=O)cc2
SMILESOpenEye OEToolkits2.0.6CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3cc(c(cn3)C(=O)N)NCc4ccccc4
Canonical SMILESCACTVS3.385 CN1CCC(CC1)NC(=O)c2ccc(Nc3cc(NCc4ccccc4)c(cn3)C(N)=O)cc2
Canonical SMILESOpenEye OEToolkits2.0.6 CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3cc(c(cn3)C(=O)N)NCc4ccccc4
InChIInChI1.03 InChI=1S/C26H30N6O2/c1-32-13-11-21(12-14-32)31-26(34)19-7-9-20(10-8-19)30-24-15-23(22(17-29-24)25(27)33)28-16-18-5-3-2-4-6-18/h2-10,15,17,21H,11-14,16H2,1H3,(H2,27,33)(H,31,34)(H2,28,29,30)
InChIKeyInChI1.03 NYSLPKXXILEKDL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4096246
PubChem 131704460
ChEMBL CHEMBL4096246