N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide

C25H33ClN2O2 — CID 23040155

IUPACN-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide
SMILESCCCCCc1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1CC1CCCCC1
InChIInChI=1S/C25H33ClN2O2/c1-3-4-6-15-22-24(25(30)27-21-14-10-9-13-20(21)26)23(29)16-18(2)28(22)17-19-11-7-5-8-12-19/h9-10,13-14,16,19H,3-8,11-12,15,17H2,1-2H3,(H,27,30)
InChIKeyJQXWKZRBOPRQNF-UHFFFAOYSA-N
MW429.00 g/mol
LogP6.38
Rot. Bonds8

About N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide

N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide (PubChem CID 23040155) has the molecular formula C25H33ClN2O2 and a molecular weight of 429.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide
PubChem CID23040155
Molecular FormulaC25H33ClN2O2
Molecular Weight429.00 g/mol
Exact Mass428.22
IUPAC NameN-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide
SMILESCCCCCc1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1CC1CCCCC1
InChIInChI=1S/C25H33ClN2O2/c1-3-4-6-15-22-24(25(30)27-21-14-10-9-13-20(21)26)23(29)16-18(2)28(22)17-19-11-7-5-8-12-19/h9-10,13-14,16,19H,3-8,11-12,15,17H2,1-2H3,(H,27,30)
InChIKeyJQXWKZRBOPRQNF-UHFFFAOYSA-N
XLogP6.38
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.00
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-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

N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide
CID 23040962
N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide
CID 23040770
2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040327
2-(3-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040010
1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide
CID 14151559
N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040741
N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide
CID 139649230
1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040717
N-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 23040152
N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
CID 23040785
1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide
CID 23037900
N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide
CID 23040529

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide (CID 23040155) is N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide is CCCCCc1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1CC1CCCCC1.
What is the InChIKey of N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide?
The InChIKey is JQXWKZRBOPRQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O2/c1-3-4-6-15-22-24(25(30)27-21-14-10-9-13-20(21)26)23(29)16-18(2)28(22)17-19-11-7-5-8-12-19/h9-10,13-14,16,19H,3-8,11-12,15,17H2,1-2H3,(H,27,30).
What are the key properties of N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide?
N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide has a molecular weight of 429.00 g/mol, XLogP of 6.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide is sourced from PubChem (CID 23040155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).