KC6

4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid

Created:	2010-11-09
Last modified:	2011-06-04

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1 entries where KC6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	13

2D diagram of KC6

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Chemical Component Summary
Name	4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-[4-(2-azanylethylcarbamoyl)pyridin-2-yl]pyridine-4-carboxylic acid
Formula	C₁₄ H₁₄ N₄ O₃
Molecular Weight	286.286
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c2ccnc(c1nccc(C(=O)NCCN)c1)c2
SMILES	CACTVS	3.370	NCCNC(=O)c1ccnc(c1)c2cc(ccn2)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O
Canonical SMILES	CACTVS	3.370	NCCNC(=O)c1ccnc(c1)c2cc(ccn2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O
InChI	InChI	1.03	InChI=1S/C14H14N4O3/c15-3-6-18-13(19)9-1-4-16-11(7-9)12-8-10(14(20)21)2-5-17-12/h1-2,4-5,7-8H,3,6,15H2,(H,18,19)(H,20,21)
InChIKey	InChI	1.03	RTGDPYNAIULBPL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1615036
PubChem	45377880, 72200351
ChEMBL	CHEMBL1615036

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