NTN

ISONICOTINAMIDINE

Created:	2001-04-16
Last modified:	2024-09-27

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2 entries where NTN is found as a standalone ligand1 entries where NTN is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of NTN

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Chemical Component Summary
Name	ISONICOTINAMIDINE
Systematic Name (OpenEye OEToolkits)	pyridine-4-carboximidamide
Formula	C₆ H₇ N₃
Molecular Weight	121.14
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[N@H]=C(N)c1ccncc1
SMILES	CACTVS	3.341	NC(=N)c1ccncc1
SMILES	OpenEye OEToolkits	1.5.0	c1cnccc1C(=N)N
Canonical SMILES	CACTVS	3.341	NC(=N)c1ccncc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cnccc1C(=N)N
InChI	InChI	1.03	InChI=1S/C6H7N3/c7-6(8)5-1-3-9-4-2-5/h1-4H,(H3,7,8)
InChIKey	InChI	1.03	BIJRUEBMNUUNIJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	409094
CCDC/CSD	CUCZIK, GETZEM, WOCGIF
COD	2223280

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