N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide

C24H25N3O3 — CID 172661780

IUPACN-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)ccn(CCc3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C24H25N3O3/c1-16-11-13-27(14-12-19-7-5-4-6-8-19)24(30)22(16)23(29)26-21-10-9-20(15-17(21)2)25-18(3)28/h4-11,13,15H,12,14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyCRKCVPBPJOUNKG-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.92
Rot. Bonds6

About N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide

N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 172661780) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID172661780
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)ccn(CCc3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C24H25N3O3/c1-16-11-13-27(14-12-19-7-5-4-6-8-19)24(30)22(16)23(29)26-21-10-9-20(15-17(21)2)25-18(3)28/h4-11,13,15H,12,14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyCRKCVPBPJOUNKG-UHFFFAOYSA-N
XLogP3.92
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172670938
4-methyl-2-oxo-1-(2-phenylethyl)-N-pyridin-3-ylpyridine-3-carboxamide
CID 172656157
4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172671910
4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172665741
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672238
4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172655551
4-methyl-2-oxo-N-(2-oxooxolan-3-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172665459
N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672908
4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
CID 172665223
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
3-phenylpropyl 4-(4-benzamido-3-methylanilino)-4-oxobutanoate
CID 54781442
N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide
CID 54781723

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide (CID 172661780) is N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2c(C)ccn(CCc3ccccc3)c2=O)c(C)c1.
What is the InChIKey of N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is CRKCVPBPJOUNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-11-13-27(14-12-19-7-5-4-6-8-19)24(30)22(16)23(29)26-21-10-9-20(15-17(21)2)25-18(3)28/h4-11,13,15H,12,14H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172661780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).