5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C20H23FN2O3 — CID 50955743

IUPAC5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCN(Cc1ccccc1F)C(=O)c1cc(C(C)=O)c(C)[nH]c1=O
InChIInChI=1S/C20H23FN2O3/c1-4-5-10-23(12-15-8-6-7-9-18(15)21)20(26)17-11-16(14(3)24)13(2)22-19(17)25/h6-9,11H,4-5,10,12H2,1-3H3,(H,22,25)
InChIKeyFRRJEPWQMCAOOK-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.47
Rot. Bonds7

About 5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 50955743) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID50955743
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCN(Cc1ccccc1F)C(=O)c1cc(C(C)=O)c(C)[nH]c1=O
InChIInChI=1S/C20H23FN2O3/c1-4-5-10-23(12-15-8-6-7-9-18(15)21)20(26)17-11-16(14(3)24)13(2)22-19(17)25/h6-9,11H,4-5,10,12H2,1-3H3,(H,22,25)
InChIKeyFRRJEPWQMCAOOK-UHFFFAOYSA-N
XLogP3.47
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide 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

1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 48157449
1-Benzyl-N5-cyclopropyl-N3-methyl-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide
CID 126648559
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3,5-dicarboxamide
CID 126676281
1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 11153626
N,1-dibenzyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 571691
N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 71660103
CB1/2 agonist 1
CID 162654853
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide
CID 162664878
3-[(2E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethylpyridin-2(1H)-one
CID 5339153
3-[(2E)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethylpyridin-2(1H)-one
CID 5726360
N-[1-(2-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-3-methyl-butyramide
CID 6488626
N-[1-(3-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-3-methyl-butyramide
CID 6488664

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 50955743) is 5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is CCCCN(Cc1ccccc1F)C(=O)c1cc(C(C)=O)c(C)[nH]c1=O.
What is the InChIKey of 5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FRRJEPWQMCAOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-4-5-10-23(12-15-8-6-7-9-18(15)21)20(26)17-11-16(14(3)24)13(2)22-19(17)25/h6-9,11H,4-5,10,12H2,1-3H3,(H,22,25).
What are the key properties of 5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-butyl-N-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 50955743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).