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

C25H28N2O2 — CID 8670906

IUPACN-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)cc1
InChIInChI=1S/C25H28N2O2/c1-4-5-7-20-11-13-22(14-12-20)26-24(28)23-8-6-15-27(25(23)29)17-21-16-18(2)9-10-19(21)3/h6,8-16H,4-5,7,17H2,1-3H3,(H,26,28)
InChIKeyDEMXLHILTKOVDI-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.11
Rot. Bonds7

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

N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 8670906) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID8670906
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)cc1
InChIInChI=1S/C25H28N2O2/c1-4-5-7-20-11-13-22(14-12-20)26-24(28)23-8-6-15-27(25(23)29)17-21-16-18(2)9-10-19(21)3/h6,8-16H,4-5,7,17H2,1-3H3,(H,26,28)
InChIKeyDEMXLHILTKOVDI-UHFFFAOYSA-N
XLogP5.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7598610
N-(4-carbamoylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598720
ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7598620
N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 26843691
1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7598626
N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598638
N-(2,5-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597915
1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598678
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
N-(3-fluoro-4-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7422797
1-[(2,5-dimethylphenyl)methyl]-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598660
1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7597899

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 8670906) is N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide is CCCCc1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is DEMXLHILTKOVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-4-5-7-20-11-13-22(14-12-20)26-24(28)23-8-6-15-27(25(23)29)17-21-16-18(2)9-10-19(21)3/h6,8-16H,4-5,7,17H2,1-3H3,(H,26,28).
What are the key properties of N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 8670906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).