6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide

C21H24N8O — CID 123605330

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide
SMILESCN(c1nc(N[C@@H]2CCCC[C@@H]2N)c(C#N)cc1C(N)=O)c1cccc2[nH]ncc12
InChIInChI=1S/C21H24N8O/c1-29(18-8-4-7-16-14(18)11-25-28-16)21-13(19(24)30)9-12(10-22)20(27-21)26-17-6-3-2-5-15(17)23/h4,7-9,11,15,17H,2-3,5-6,23H2,1H3,(H2,24,30)(H,25,28)(H,26,27)/t15-,17+/m0/s1
InChIKeyUKPHTGLICYWFLR-DOTOQJQBSA-N
MW404.48 g/mol
LogP2.38
Rot. Bonds5

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide (PubChem CID 123605330) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide
PubChem CID123605330
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide
SMILESCN(c1nc(N[C@@H]2CCCC[C@@H]2N)c(C#N)cc1C(N)=O)c1cccc2[nH]ncc12
InChIInChI=1S/C21H24N8O/c1-29(18-8-4-7-16-14(18)11-25-28-16)21-13(19(24)30)9-12(10-22)20(27-21)26-17-6-3-2-5-15(17)23/h4,7-9,11,15,17H,2-3,5-6,23H2,1H3,(H2,24,30)(H,25,28)(H,26,27)/t15-,17+/m0/s1
InChIKeyUKPHTGLICYWFLR-DOTOQJQBSA-N
XLogP2.38
TPSA149.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-cyano-N-methylanilino)pyridine-3-carboxamide;hydrochloride
CID 25013193
2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide
CID 155563860
2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide
CID 67185316
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
N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide
CID 93452695
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
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
4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
2-[(2-aminocyclopentyl)amino]quinoline-4-carbonitrile
CID 63886409

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide (CID 123605330) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide is CN(c1nc(N[C@@H]2CCCC[C@@H]2N)c(C#N)cc1C(N)=O)c1cccc2[nH]ncc12.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide?
The InChIKey is UKPHTGLICYWFLR-DOTOQJQBSA-N. The full InChI is InChI=1S/C21H24N8O/c1-29(18-8-4-7-16-14(18)11-25-28-16)21-13(19(24)30)9-12(10-22)20(27-21)26-17-6-3-2-5-15(17)23/h4,7-9,11,15,17H,2-3,5-6,23H2,1H3,(H2,24,30)(H,25,28)(H,26,27)/t15-,17+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide has a molecular weight of 404.48 g/mol, XLogP of 2.38, 5 rotatable bonds, 4 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-[1H-indazol-4-yl(methyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 123605330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).