5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one

C17H16N2O — CID 122537387

IUPAC5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one
SMILESCc1c[nH]c(C)c1-c1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C17H16N2O/c1-12-10-18-13(2)17(12)14-8-9-16(20)19(11-14)15-6-4-3-5-7-15/h3-11,18H,1-2H3
InChIKeyKVWYSYOXKQIRNV-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.45
Rot. Bonds2

About 5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one

5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one (PubChem CID 122537387) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one.

Molecular Properties

Compound Name5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one
PubChem CID122537387
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one
SMILESCc1c[nH]c(C)c1-c1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C17H16N2O/c1-12-10-18-13(2)17(12)14-8-9-16(20)19(11-14)15-6-4-3-5-7-15/h3-11,18H,1-2H3
InChIKeyKVWYSYOXKQIRNV-UHFFFAOYSA-N
XLogP3.45
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-5-pyridin-3-ylpyridin-2-one
CID 58016476
5-(1-methylindol-5-yl)-1-phenylpyridin-2-one
CID 58016427
1-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-one
CID 46853460
bromobenzene;copper;tris(5-methyl-1-phenylpyridin-2-one);5-methyl-1H-pyridin-2-one;oxocopper
CID 159712818
1-[3-(dimethylamino)phenyl]-5-phenylpyridin-2-one
CID 46853307
5-benzyl-1-phenylpyridin-2-one;ethane
CID 90848479
3-methyl-6-oxo-2-phenylisoquinoline-4-carboxylic acid
CID 68721155
2-amino-3-ethyl-6-(3-fluorophenyl)-5-(6-oxo-1-phenyl-3-pyridinyl)pyrimidin-4-one
CID 23020503
ethane;N-methyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 142575628
1-(4-methylphenyl)pyridin-2-one
CID 10821386
1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one
CID 91248089
4-(2,4-dimethylphenyl)-2-[4-(3,5-dimethyl-4-phenylphenyl)-1-(4-phenylphenyl)pyrrol-2-yl]-1-phenylpyrrole
CID 57220515

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one?
The IUPAC name of 5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one (CID 122537387) is 5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one.
What is the SMILES notation for 5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one?
The canonical SMILES for 5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one is Cc1c[nH]c(C)c1-c1ccc(=O)n(-c2ccccc2)c1.
What is the InChIKey of 5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one?
The InChIKey is KVWYSYOXKQIRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-10-18-13(2)17(12)14-8-9-16(20)19(11-14)15-6-4-3-5-7-15/h3-11,18H,1-2H3.
What are the key properties of 5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one?
5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1H-pyrrol-3-yl)-1-phenylpyridin-2-one is sourced from PubChem (CID 122537387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).