N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide

C21H27ClN2O2 — CID 23040962

IUPACN-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide
SMILESCCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2Cl)c1CCC
InChIInChI=1S/C21H27ClN2O2/c1-4-6-9-13-24-15(3)14-19(25)20(18(24)10-5-2)21(26)23-17-12-8-7-11-16(17)22/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,26)
InChIKeyDMHDQPYCKHBGQR-UHFFFAOYSA-N
MW374.91 g/mol
LogP5.21
Rot. Bonds8

About N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide

N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide (PubChem CID 23040962) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide
PubChem CID23040962
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide
SMILESCCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2Cl)c1CCC
InChIInChI=1S/C21H27ClN2O2/c1-4-6-9-13-24-15(3)14-19(25)20(18(24)10-5-2)21(26)23-17-12-8-7-11-16(17)22/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,26)
InChIKeyDMHDQPYCKHBGQR-UHFFFAOYSA-N
XLogP5.21
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.91
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide
CID 23040770
N-(2-chlorophenyl)-1-(cyclohexylmethyl)-6-methyl-4-oxo-2-pentylpyridine-3-carboxamide
CID 23040155
N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040741
2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040327
1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide
CID 23037900
6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040324
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
6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide
CID 23040237
N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide
CID 23040477

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide (CID 23040962) is N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide is CCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2Cl)c1CCC.
What is the InChIKey of N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide?
The InChIKey is DMHDQPYCKHBGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-4-6-9-13-24-15(3)14-19(25)20(18(24)10-5-2)21(26)23-17-12-8-7-11-16(17)22/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,26).
What are the key properties of N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide?
N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide has a molecular weight of 374.91 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide is sourced from PubChem (CID 23040962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).