5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile

C15H13FN2O2 — CID 71501099

IUPAC5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile
SMILESCC(=O)C1=C(C)NC(=O)C(C#N)C1c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O2/c1-8-13(9(2)19)14(12(7-17)15(20)18-8)10-3-5-11(16)6-4-10/h3-6,12,14H,1-2H3,(H,18,20)
InChIKeyNLEVLQMCCBDIBK-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.04
Rot. Bonds2

About 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile

5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile (PubChem CID 71501099) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile
PubChem CID71501099
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile
SMILESCC(=O)C1=C(C)NC(=O)C(C#N)C1c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O2/c1-8-13(9(2)19)14(12(7-17)15(20)18-8)10-3-5-11(16)6-4-10/h3-6,12,14H,1-2H3,(H,18,20)
InChIKeyNLEVLQMCCBDIBK-UHFFFAOYSA-N
XLogP2.04
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-5-acetyl-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile
CID 744487
methyl 3-cyano-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 12990334
5-acetyl-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
CID 10968598
5-acetyl-6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile
CID 56925590
ethyl (3R,4S)-3-cyano-2-(dicyanomethylidene)-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
CID 97037283
ethanol;4-fluorobenzaldehyde;methyl 3-cyano-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate;methyl 4-methyl-3-oxopentanoate;propanedinitrile
CID 159520912
dimethyl 5,5-dicyano-4-(4-fluorophenyl)-6-(4-methylphenyl)-2-oxocyclohexane-1,3-dicarboxylate
CID 75662854
methyl (3R,4R)-6-amino-5-cyano-4-(4-fluorophenyl)-2-imino-3,4-dihydrothiopyran-3-carboxylate
CID 6948295
ethyl (3R,4S)-4-(4-chlorophenyl)-3-cyano-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1363281
ethyl (3S,4S)-4-(4-chlorophenyl)-3-cyano-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1363284
dimethyl 4-(4-fluorophenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 3618620
5-(4-methoxyphenyl)-2,4,7-trioxo-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 46196754

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile (CID 71501099) is 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile is CC(=O)C1=C(C)NC(=O)C(C#N)C1c1ccc(F)cc1.
What is the InChIKey of 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile?
The InChIKey is NLEVLQMCCBDIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-8-13(9(2)19)14(12(7-17)15(20)18-8)10-3-5-11(16)6-4-10/h3-6,12,14H,1-2H3,(H,18,20).
What are the key properties of 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile?
5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile has a molecular weight of 272.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 71501099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).