3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide

C18H18FN3O2 — CID 9070688

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C18H18FN3O2/c1-10-4-5-13(19)8-16(10)22-17(23)7-6-14-11(2)15(9-20)18(24)21-12(14)3/h4-5,8H,6-7H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyFNDFFEBYCLLQHE-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.88
Rot. Bonds4

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 9070688) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide
PubChem CID9070688
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C18H18FN3O2/c1-10-4-5-13(19)8-16(10)22-17(23)7-6-14-11(2)15(9-20)18(24)21-12(14)3/h4-5,8H,6-7H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyFNDFFEBYCLLQHE-UHFFFAOYSA-N
XLogP2.88
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide (CID 9070688) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide is Cc1ccc(F)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is FNDFFEBYCLLQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-10-4-5-13(19)8-16(10)22-17(23)7-6-14-11(2)15(9-20)18(24)21-12(14)3/h4-5,8H,6-7H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide has a molecular weight of 327.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 9070688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).