6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide

C20H24N8O — CID 67775149

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1
InChIInChI=1S/C20H24N8O/c21-16-6-1-2-7-17(16)26-18-9-8-15(19(22)29)20(27-18)25-13-4-3-5-14(12-13)28-23-10-11-24-28/h3-5,8-12,16-17H,1-2,6-7,21H2,(H2,22,29)(H2,25,26,27)/t16-,17+/m0/s1
InChIKeyCAPOVEGNVPHPNW-DLBZAZTESA-N
MW392.47 g/mol
LogP2.19
Rot. Bonds6

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide (PubChem CID 67775149) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
PubChem CID67775149
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1
InChIInChI=1S/C20H24N8O/c21-16-6-1-2-7-17(16)26-18-9-8-15(19(22)29)20(27-18)25-13-4-3-5-14(12-13)28-23-10-11-24-28/h3-5,8-12,16-17H,1-2,6-7,21H2,(H2,22,29)(H2,25,26,27)/t16-,17+/m0/s1
InChIKeyCAPOVEGNVPHPNW-DLBZAZTESA-N
XLogP2.19
TPSA136.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide 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

2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide
CID 69284244
1-[2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidin-5-yl]ethanone
CID 59199821
2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 75040568
6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide
CID 129192413
6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 57335964
2-[[(1S,2S)-2-amino-3,3-difluorocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 71576960
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide
CID 67509617
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide
CID 67510063
4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
1-[2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(tetrazol-2-yl)anilino]pyrimidin-5-yl]ethanone
CID 67476968
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67777059
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide
CID 71577713

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide (CID 67775149) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide is NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide?
The InChIKey is CAPOVEGNVPHPNW-DLBZAZTESA-N. The full InChI is InChI=1S/C20H24N8O/c21-16-6-1-2-7-17(16)26-18-9-8-15(19(22)29)20(27-18)25-13-4-3-5-14(12-13)28-23-10-11-24-28/h3-5,8-12,16-17H,1-2,6-7,21H2,(H2,22,29)(H2,25,26,27)/t16-,17+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67775149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).