6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride

C21H24ClN7O — CID 25013193

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride
SMILESCN(c1cccc(C#N)c1)c1nc(N[C@@H]2CCCC[C@@H]2N)c(C#N)cc1C(N)=O.Cl
InChIInChI=1S/C21H23N7O.ClH/c1-28(15-6-4-5-13(9-15)11-22)21-16(19(25)29)10-14(12-23)20(27-21)26-18-8-3-2-7-17(18)24;/h4-6,9-10,17-18H,2-3,7-8,24H2,1H3,(H2,25,29)(H,26,27);1H/t17-,18+;/m0./s1
InChIKeyQZQVVJRJZQQHPQ-CJRXIRLBSA-N
MW425.92 g/mol
LogP2.80
Rot. Bonds5

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride (PubChem CID 25013193) has the molecular formula C21H24ClN7O and a molecular weight of 425.92 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride
PubChem CID25013193
Molecular FormulaC21H24ClN7O
Molecular Weight425.92 g/mol
Exact Mass425.17
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride
SMILESCN(c1cccc(C#N)c1)c1nc(N[C@@H]2CCCC[C@@H]2N)c(C#N)cc1C(N)=O.Cl
InChIInChI=1S/C21H23N7O.ClH/c1-28(15-6-4-5-13(9-15)11-22)21-16(19(25)29)10-14(12-23)20(27-21)26-18-8-3-2-7-17(18)24;/h4-6,9-10,17-18H,2-3,7-8,24H2,1H3,(H2,25,29)(H,26,27);1H/t17-,18+;/m0./s1
InChIKeyQZQVVJRJZQQHPQ-CJRXIRLBSA-N
XLogP2.80
TPSA144.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide
CID 123605330
2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide
CID 155563860
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3,4-dimethoxyanilino)pyridine-3-carboxamide;hydrochloride
CID 25013355
2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide
CID 102738838
3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile
CID 102738669
6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide
CID 129192370
4-(3-cyano-N-methylanilino)pyridine-2-carboxamide
CID 62983495
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 163538424
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 56599745
N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide
CID 62780707
2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382290
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(4-cyanoanilino)-1,2,4-triazine-6-carboxamide
CID 118097881

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride (CID 25013193) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride is CN(c1cccc(C#N)c1)c1nc(N[C@@H]2CCCC[C@@H]2N)c(C#N)cc1C(N)=O.Cl.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride?
The InChIKey is QZQVVJRJZQQHPQ-CJRXIRLBSA-N. The full InChI is InChI=1S/C21H23N7O.ClH/c1-28(15-6-4-5-13(9-15)11-22)21-16(19(25)29)10-14(12-23)20(27-21)26-18-8-3-2-7-17(18)24;/h4-6,9-10,17-18H,2-3,7-8,24H2,1H3,(H2,25,29)(H,26,27);1H/t17-,18+;/m0./s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride has a molecular weight of 425.92 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 25013193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).