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

C24H25ClN2O2 — CID 23040917

IUPAC2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide
SMILESCCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C24H25ClN2O2/c1-3-4-8-14-27-17(2)15-21(28)22(23(27)18-10-9-11-19(25)16-18)24(29)26-20-12-6-5-7-13-20/h5-7,9-13,15-16H,3-4,8,14H2,1-2H3,(H,26,29)
InChIKeyKYYLEWWTGJWOLL-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.92
Rot. Bonds7

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

2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide (PubChem CID 23040917) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide
PubChem CID23040917
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide
SMILESCCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C24H25ClN2O2/c1-3-4-8-14-27-17(2)15-21(28)22(23(27)18-10-9-11-19(25)16-18)24(29)26-20-12-6-5-7-13-20/h5-7,9-13,15-16H,3-4,8,14H2,1-2H3,(H,26,29)
InChIKeyKYYLEWWTGJWOLL-UHFFFAOYSA-N
XLogP5.92
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.92
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide (CID 23040917) is 2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide is CCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide?
The InChIKey is KYYLEWWTGJWOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-3-4-8-14-27-17(2)15-21(28)22(23(27)18-10-9-11-19(25)16-18)24(29)26-20-12-6-5-7-13-20/h5-7,9-13,15-16H,3-4,8,14H2,1-2H3,(H,26,29).
What are the key properties of 2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide?
2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 23040917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).