1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C15H13FN2O — CID 3243885

IUPAC1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(Cc2cccc(F)c2)c(=O)c1C#N
InChIInChI=1S/C15H13FN2O/c1-10-6-11(2)18(15(19)14(10)8-17)9-12-4-3-5-13(16)7-12/h3-7H,9H2,1-2H3
InChIKeyDDUXHSKYHKASIU-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.52
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 3243885) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID3243885
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(Cc2cccc(F)c2)c(=O)c1C#N
InChIInChI=1S/C15H13FN2O/c1-10-6-11(2)18(15(19)14(10)8-17)9-12-4-3-5-13(16)7-12/h3-7H,9H2,1-2H3
InChIKeyDDUXHSKYHKASIU-UHFFFAOYSA-N
XLogP2.52
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 3243885) is 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(Cc2cccc(F)c2)c(=O)c1C#N.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is DDUXHSKYHKASIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-10-6-11(2)18(15(19)14(10)8-17)9-12-4-3-5-13(16)7-12/h3-7H,9H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 256.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3243885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).