5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one

C19H15NO3 — CID 58051460

IUPAC5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one
SMILESCc1cccc(-n2cc(-c3ccc4c(c3)OCO4)ccc2=O)c1
InChIInChI=1S/C19H15NO3/c1-13-3-2-4-16(9-13)20-11-15(6-8-19(20)21)14-5-7-17-18(10-14)23-12-22-17/h2-11H,12H2,1H3
InChIKeyXAGREDMOFKFCHG-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.54
Rot. Bonds2

About 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one

5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one (PubChem CID 58051460) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one
PubChem CID58051460
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one
SMILESCc1cccc(-n2cc(-c3ccc4c(c3)OCO4)ccc2=O)c1
InChIInChI=1S/C19H15NO3/c1-13-3-2-4-16(9-13)20-11-15(6-8-19(20)21)14-5-7-17-18(10-14)23-12-22-17/h2-11H,12H2,1H3
InChIKeyXAGREDMOFKFCHG-UHFFFAOYSA-N
XLogP3.54
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N,N-diphenyl-, (2E)-
CID 68085257
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline
CID 3009245
3-Benzo[1,3]dioxol-5-yl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 10961112
(2E)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylprop-2-enamide
CID 6076661
(E)-N-(4-acetamidophenyl)-3-(1,3-benzodioxol-5-yl)prop-2-enamide
CID 742826
3-(1,3-benzodioxol-5-yl)-N-ethyl-N-phenylacrylamide
CID 884886
(2E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 1148765
1-(1,3-Benzodioxol-5-ylmethyl)-4-[3-(3-nitrophenyl)acryloyl]piperazine
CID 1346717
(E)-3-(1,3-benzodioxol-5-yl)-1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)prop-2-en-1-one
CID 6017095
(E)-3-{3-[(4-Benzo[1,3]dioxol-5-yl-benzyl)-isobutyryl-amino]-phenyl}-acrylic acid methyl ester
CID 9911971
Fexarine
CID 10117653
4-(3,4-Methylenedioxyphenyl)-6-phenyl-2-pyridinone
CID 10379516

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one (CID 58051460) is 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one is Cc1cccc(-n2cc(-c3ccc4c(c3)OCO4)ccc2=O)c1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one?
The InChIKey is XAGREDMOFKFCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-13-3-2-4-16(9-13)20-11-15(6-8-19(20)21)14-5-7-17-18(10-14)23-12-22-17/h2-11H,12H2,1H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one?
5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one has a molecular weight of 305.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one is sourced from PubChem (CID 58051460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).