N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide

C25H28N2O2 — CID 70357963

IUPACN-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCc1[nH]c(C)cc(=O)c1C(=O)N(Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C25H28N2O2/c1-4-5-14-21-24(23(28)16-19(3)26-21)25(29)27(17-20-12-7-6-8-13-20)22-15-10-9-11-18(22)2/h6-13,15-16H,4-5,14,17H2,1-3H3,(H,26,28)
InChIKeyXASWAGONIDIOTH-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.18
Rot. Bonds7

About N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide

N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 70357963) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID70357963
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCc1[nH]c(C)cc(=O)c1C(=O)N(Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C25H28N2O2/c1-4-5-14-21-24(23(28)16-19(3)26-21)25(29)27(17-20-12-7-6-8-13-20)22-15-10-9-11-18(22)2/h6-13,15-16H,4-5,14,17H2,1-3H3,(H,26,28)
InChIKeyXASWAGONIDIOTH-UHFFFAOYSA-N
XLogP5.18
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 70358096
N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide
CID 70357969
N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 70387162
N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 70357942
N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 70357885
6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one
CID 69178911
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979
1,3-dibenzyl-1-butyl-3-(2,4-dimethylphenyl)urea
CID 71318039
N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 70357864
N-benzyl-N-(2,3-dimethylphenyl)acetamide
CID 71247731
N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide
CID 4038839
butylbenzene;carbonic acid
CID 158278492

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 70357963) is N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide is CCCCc1[nH]c(C)cc(=O)c1C(=O)N(Cc1ccccc1)c1ccccc1C.
What is the InChIKey of N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XASWAGONIDIOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-4-5-14-21-24(23(28)16-19(3)26-21)25(29)27(17-20-12-7-6-8-13-20)22-15-10-9-11-18(22)2/h6-13,15-16H,4-5,14,17H2,1-3H3,(H,26,28).
What are the key properties of N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide?
N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70357963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).