N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide

C25H27N3O3 — CID 172665792

IUPACN-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)Nc1cccc(C(=O)N(C)C)c1C
InChIInChI=1S/C25H27N3O3/c1-16-14-15-28(18(3)19-10-7-6-8-11-19)25(31)22(16)23(29)26-21-13-9-12-20(17(21)2)24(30)27(4)5/h6-15,18H,1-5H3,(H,26,29)
InChIKeyKHVMGQNUVGUXNV-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.03
Rot. Bonds5

About N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide

N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 172665792) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID172665792
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)Nc1cccc(C(=O)N(C)C)c1C
InChIInChI=1S/C25H27N3O3/c1-16-14-15-28(18(3)19-10-7-6-8-11-19)25(31)22(16)23(29)26-21-13-9-12-20(17(21)2)24(30)27(4)5/h6-15,18H,1-5H3,(H,26,29)
InChIKeyKHVMGQNUVGUXNV-UHFFFAOYSA-N
XLogP4.03
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-hydroxyethoxy)phenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172664088
N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172665102
4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide
CID 172668586
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172659116
N-benzyl-N-(3-hydroxypropyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172662960
N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131897206
N-[3-(dimethylcarbamoyl)-2-methylphenyl]quinoxaline-2-carboxamide
CID 131923245
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955
N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172671237
3-[[2-(2,6-dichlorophenyl)acetyl]amino]-N,N,2-trimethylbenzamide
CID 131902894
N-[3-(dimethylcarbamoyl)-2-methylphenyl]-6-methoxypyridine-3-carboxamide
CID 131900046
formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172910120

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide (CID 172665792) is N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide is Cc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)Nc1cccc(C(=O)N(C)C)c1C.
What is the InChIKey of N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is KHVMGQNUVGUXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-16-14-15-28(18(3)19-10-7-6-8-11-19)25(31)22(16)23(29)26-21-13-9-12-20(17(21)2)24(30)27(4)5/h6-15,18H,1-5H3,(H,26,29).
What are the key properties of N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172665792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).