N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C26H24N2O3 — CID 70387162

IUPACN-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(Cc2ccccc2)c2cccc(C)c2C)c(-c2ccco2)[nH]1
InChIInChI=1S/C26H24N2O3/c1-17-9-7-12-21(19(17)3)28(16-20-10-5-4-6-11-20)26(30)24-22(29)15-18(2)27-25(24)23-13-8-14-31-23/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyMSCRDLMIZPRWHB-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.41
Rot. Bonds5

About N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 70387162) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID70387162
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(Cc2ccccc2)c2cccc(C)c2C)c(-c2ccco2)[nH]1
InChIInChI=1S/C26H24N2O3/c1-17-9-7-12-21(19(17)3)28(16-20-10-5-4-6-11-20)26(30)24-22(29)15-18(2)27-25(24)23-13-8-14-31-23/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyMSCRDLMIZPRWHB-UHFFFAOYSA-N
XLogP5.41
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 70357963
N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 70357885
N-benzyl-N-(2,3-dimethylphenyl)acetamide
CID 71247731
N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 70357942
2-(N-benzyl-2,3-dimethylanilino)benzoic acid
CID 163729713
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 166558580
N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 5004431
3-diethoxyphosphoryl-2-(furan-2-yl)-6-methyl-1H-pyridin-4-one
CID 102093330
N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 70357864
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylfuran-2-carboxamide
CID 1382192
6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 62631831

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 70387162) is N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N(Cc2ccccc2)c2cccc(C)c2C)c(-c2ccco2)[nH]1.
What is the InChIKey of N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MSCRDLMIZPRWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17-9-7-12-21(19(17)3)28(16-20-10-5-4-6-11-20)26(30)24-22(29)15-18(2)27-25(24)23-13-8-14-31-23/h4-15H,16H2,1-3H3,(H,27,29).
What are the key properties of N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70387162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).