6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide

C19H24FN5O — CID 56599745

IUPAC6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2nc(NC3CCCC[C@@H]3N)c(F)cc2C(N)=O)c1
InChIInChI=1S/C19H24FN5O/c1-11-5-4-6-12(9-11)23-18-13(17(22)26)10-14(20)19(25-18)24-16-8-3-2-7-15(16)21/h4-6,9-10,15-16H,2-3,7-8,21H2,1H3,(H2,22,26)(H2,23,24,25)/t15-,16?/m0/s1
InChIKeyDYZICFZHDDMDJF-VYRBHSGPSA-N
MW357.43 g/mol
LogP3.05
Rot. Bonds5

About 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide

6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide (PubChem CID 56599745) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
PubChem CID56599745
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2nc(NC3CCCC[C@@H]3N)c(F)cc2C(N)=O)c1
InChIInChI=1S/C19H24FN5O/c1-11-5-4-6-12(9-11)23-18-13(17(22)26)10-14(20)19(25-18)24-16-8-3-2-7-15(16)21/h4-6,9-10,15-16H,2-3,7-8,21H2,1H3,(H2,22,26)(H2,23,24,25)/t15-,16?/m0/s1
InChIKeyDYZICFZHDDMDJF-VYRBHSGPSA-N
XLogP3.05
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)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

6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 163538424
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67776986
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084
6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide
CID 129192370
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
CID 69284997
1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone
CID 134285459
2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 57472084
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide
CID 67510063
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 77353295
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide
CID 67774949
6-[[(1R)-2-aminocyclohexyl]amino]-2-(3-chloro-5-fluoroanilino)-5-fluoropyridine-3-carboxamide
CID 129192471
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide
CID 72551286

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide (CID 56599745) is 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide is Cc1cccc(Nc2nc(NC3CCCC[C@@H]3N)c(F)cc2C(N)=O)c1.
What is the InChIKey of 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide?
The InChIKey is DYZICFZHDDMDJF-VYRBHSGPSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-11-5-4-6-12(9-11)23-18-13(17(22)26)10-14(20)19(25-18)24-16-8-3-2-7-15(16)21/h4-6,9-10,15-16H,2-3,7-8,21H2,1H3,(H2,22,26)(H2,23,24,25)/t15-,16?/m0/s1.
What are the key properties of 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide?
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 56599745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).