1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide

C25H27FN2O2 — CID 23587807

IUPAC1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCCCn1cc(-c2cc(C)ccc2C)cc(C(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C25H27FN2O2/c1-4-5-12-28-16-20(22-13-17(2)6-7-18(22)3)14-23(25(28)30)24(29)27-15-19-8-10-21(26)11-9-19/h6-11,13-14,16H,4-5,12,15H2,1-3H3,(H,27,29)
InChIKeyINIOYZXNRDONPE-UHFFFAOYSA-N
MW406.50 g/mol
LogP5.00
Rot. Bonds7

About 1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide

1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 23587807) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID23587807
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC Name1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCCCn1cc(-c2cc(C)ccc2C)cc(C(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C25H27FN2O2/c1-4-5-12-28-16-20(22-13-17(2)6-7-18(22)3)14-23(25(28)30)24(29)27-15-19-8-10-21(26)11-9-19/h6-11,13-14,16H,4-5,12,15H2,1-3H3,(H,27,29)
InChIKeyINIOYZXNRDONPE-UHFFFAOYSA-N
XLogP5.00
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-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

N-benzyl-1-butyl-5-(2-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 10293778
2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22422707
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785293
N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide
CID 173202624
1-butyl-N-[(4-methylphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587722
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 18568357
N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
CID 100720245
2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide
CID 71596286
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
N-[[4-(chloromethyl)phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 107233293
1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 92635189

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 23587807) is 1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide is CCCCn1cc(-c2cc(C)ccc2C)cc(C(=O)NCc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is INIOYZXNRDONPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c1-4-5-12-28-16-20(22-13-17(2)6-7-18(22)3)14-23(25(28)30)24(29)27-15-19-8-10-21(26)11-9-19/h6-11,13-14,16H,4-5,12,15H2,1-3H3,(H,27,29).
What are the key properties of 1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 406.50 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 23587807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).