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

C24H25FN2O2 — CID 23040766

IUPAC1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide
SMILESCCCCCc1c(C(=O)Nc2ccccc2)c(=O)cc(C)n1-c1cccc(F)c1
InChIInChI=1S/C24H25FN2O2/c1-3-4-6-14-21-23(24(29)26-19-11-7-5-8-12-19)22(28)15-17(2)27(21)20-13-9-10-18(25)16-20/h5,7-13,15-16H,3-4,6,14H2,1-2H3,(H,26,29)
InChIKeyVCKFNPGRVGVYRB-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.27
Rot. Bonds7

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

1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide (PubChem CID 23040766) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide
PubChem CID23040766
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide
SMILESCCCCCc1c(C(=O)Nc2ccccc2)c(=O)cc(C)n1-c1cccc(F)c1
InChIInChI=1S/C24H25FN2O2/c1-3-4-6-14-21-23(24(29)26-19-11-7-5-8-12-19)22(28)15-17(2)27(21)20-13-9-10-18(25)16-20/h5,7-13,15-16H,3-4,6,14H2,1-2H3,(H,26,29)
InChIKeyVCKFNPGRVGVYRB-UHFFFAOYSA-N
XLogP5.27
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.27
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 1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide (CID 23040766) is 1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide is CCCCCc1c(C(=O)Nc2ccccc2)c(=O)cc(C)n1-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide?
The InChIKey is VCKFNPGRVGVYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-3-4-6-14-21-23(24(29)26-19-11-7-5-8-12-19)22(28)15-17(2)27(21)20-13-9-10-18(25)16-20/h5,7-13,15-16H,3-4,6,14H2,1-2H3,(H,26,29).
What are the key properties of 1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide?
1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-6-methyl-4-oxo-2-pentyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 23040766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).