2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide

C25H33ClN4O — CID 174338467

IUPAC2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc(-c3ccc(CN4CCCC4C)cc3Cl)cnc2N)CC1
InChIInChI=1S/C25H33ClN4O/c1-16-5-8-20(9-6-16)29-25(31)22-13-19(14-28-24(22)27)21-10-7-18(12-23(21)26)15-30-11-3-4-17(30)2/h7,10,12-14,16-17,20H,3-6,8-9,11,15H2,1-2H3,(H2,27,28)(H,29,31)
InChIKeyZVZBPJPOZZUFPS-UHFFFAOYSA-N
MW441.02 g/mol
LogP5.28
Rot. Bonds5

About 2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide

2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 174338467) has the molecular formula C25H33ClN4O and a molecular weight of 441.02 g/mol. Its IUPAC name is 2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID174338467
Molecular FormulaC25H33ClN4O
Molecular Weight441.02 g/mol
Exact Mass440.23
IUPAC Name2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc(-c3ccc(CN4CCCC4C)cc3Cl)cnc2N)CC1
InChIInChI=1S/C25H33ClN4O/c1-16-5-8-20(9-6-16)29-25(31)22-13-19(14-28-24(22)27)21-10-7-18(12-23(21)26)15-30-11-3-4-17(30)2/h7,10,12-14,16-17,20H,3-6,8-9,11,15H2,1-2H3,(H2,27,28)(H,29,31)
InChIKeyZVZBPJPOZZUFPS-UHFFFAOYSA-N
XLogP5.28
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.02
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)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-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 134202911
5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine
CID 134202982
2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 175443441
2-amino-N-(4-methylcyclohexyl)-5-phenylpyridine-3-carboxamide
CID 134202942
2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide
CID 134202894
4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 159995696
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
2-amino-N-[(3R)-1-[4-(2-chloro-4-fluorophenyl)benzoyl]pyrrolidin-3-yl]-5-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 139580513
2-amino-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide;ethane
CID 145445475
2-amino-N-[(3R)-1-[[4-fluoro-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325791
2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299
2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 62471451

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide (CID 174338467) is 2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide is CC1CCC(NC(=O)c2cc(-c3ccc(CN4CCCC4C)cc3Cl)cnc2N)CC1.
What is the InChIKey of 2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is ZVZBPJPOZZUFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O/c1-16-5-8-20(9-6-16)29-25(31)22-13-19(14-28-24(22)27)21-10-7-18(12-23(21)26)15-30-11-3-4-17(30)2/h7,10,12-14,16-17,20H,3-6,8-9,11,15H2,1-2H3,(H2,27,28)(H,29,31).
What are the key properties of 2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 441.02 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 174338467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).