6-heptyl-3-methyl-1,2-diphenylpyridin-4-one

C25H29NO — CID 14621388

IUPAC6-heptyl-3-methyl-1,2-diphenylpyridin-4-one
SMILESCCCCCCCc1cc(=O)c(C)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C25H29NO/c1-3-4-5-6-11-18-23-19-24(27)20(2)25(21-14-9-7-10-15-21)26(23)22-16-12-8-13-17-22/h7-10,12-17,19H,3-6,11,18H2,1-2H3
InChIKeyYNAXMJMEUMFPST-UHFFFAOYSA-N
MW359.51 g/mol
LogP6.33
Rot. Bonds8

About 6-heptyl-3-methyl-1,2-diphenylpyridin-4-one

6-heptyl-3-methyl-1,2-diphenylpyridin-4-one (PubChem CID 14621388) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 6-heptyl-3-methyl-1,2-diphenylpyridin-4-one.

Molecular Properties

Compound Name6-heptyl-3-methyl-1,2-diphenylpyridin-4-one
PubChem CID14621388
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name6-heptyl-3-methyl-1,2-diphenylpyridin-4-one
SMILESCCCCCCCc1cc(=O)c(C)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C25H29NO/c1-3-4-5-6-11-18-23-19-24(27)20(2)25(21-14-9-7-10-15-21)26(23)22-16-12-8-13-17-22/h7-10,12-17,19H,3-6,11,18H2,1-2H3
InChIKeyYNAXMJMEUMFPST-UHFFFAOYSA-N
XLogP6.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-bis(2,3,4-trihexyl-5-phenylpyrrol-1-yl)phenyl]-2,3,4-trihexyl-5-phenylpyrrole
CID 58130483
2-(4-fluorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303719
1-(4-methylphenyl)-3-octyl-2,5-diphenylpyrrole
CID 23497978
6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one
CID 14303860
sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride
CID 173291482
dihydroxy(oxo)phosphanium;1-heptyl-3,4,5-triphenylimidazol-2-one
CID 70278239
5-bromo-4-hexyl-1,2-diphenylimidazole
CID 142289117
3-methyl-2-pentyl-1-phenylquinolin-4-one
CID 139115439
2-heptadecyl-1-methylquinolin-4-one
CID 53316624
1-methyl-2-undecylquinolin-4-one
CID 5319811
3-octyl-4-phenyl-1H-1,2,4-triazol-5-one
CID 101266229
1,1'-biphenyl;hexadecane
CID 173308514

Frequently Asked Questions

What is the IUPAC name of 6-heptyl-3-methyl-1,2-diphenylpyridin-4-one?
The IUPAC name of 6-heptyl-3-methyl-1,2-diphenylpyridin-4-one (CID 14621388) is 6-heptyl-3-methyl-1,2-diphenylpyridin-4-one.
What is the SMILES notation for 6-heptyl-3-methyl-1,2-diphenylpyridin-4-one?
The canonical SMILES for 6-heptyl-3-methyl-1,2-diphenylpyridin-4-one is CCCCCCCc1cc(=O)c(C)c(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 6-heptyl-3-methyl-1,2-diphenylpyridin-4-one?
The InChIKey is YNAXMJMEUMFPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-3-4-5-6-11-18-23-19-24(27)20(2)25(21-14-9-7-10-15-21)26(23)22-16-12-8-13-17-22/h7-10,12-17,19H,3-6,11,18H2,1-2H3.
What are the key properties of 6-heptyl-3-methyl-1,2-diphenylpyridin-4-one?
6-heptyl-3-methyl-1,2-diphenylpyridin-4-one has a molecular weight of 359.51 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptyl-3-methyl-1,2-diphenylpyridin-4-one is sourced from PubChem (CID 14621388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).