N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C21H25N3O4 — CID 91822604

IUPACN-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)cc(C)n(CC3CCCO3)c2=O)cc1
InChIInChI=1S/C21H25N3O4/c1-13-11-14(2)24(12-18-5-4-10-28-18)21(27)19(13)20(26)23-17-8-6-16(7-9-17)22-15(3)25/h6-9,11,18H,4-5,10,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyKQJDNTDJVKDFQT-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.85
Rot. Bonds5

About N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide

N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 91822604) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID91822604
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)cc(C)n(CC3CCCO3)c2=O)cc1
InChIInChI=1S/C21H25N3O4/c1-13-11-14(2)24(12-18-5-4-10-28-18)21(27)19(13)20(26)23-17-8-6-16(7-9-17)22-15(3)25/h6-9,11,18H,4-5,10,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyKQJDNTDJVKDFQT-UHFFFAOYSA-N
XLogP2.85
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 124842257
4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 91821636
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91823055
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4,6-dimethyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 124859382
N-[2-[2-(hydroxymethyl)benzimidazol-1-yl]ethyl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 110204706
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 112757079
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 102564334
methyl 3-fluoro-5-[[4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carbonyl]amino]benzoate
CID 172656404
4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid
CID 65163089

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 91822604) is N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2c(C)cc(C)n(CC3CCCO3)c2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is KQJDNTDJVKDFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-13-11-14(2)24(12-18-5-4-10-28-18)21(27)19(13)20(26)23-17-8-6-16(7-9-17)22-15(3)25/h6-9,11,18H,4-5,10,12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 91822604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).