5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide

C20H24N2O4 — CID 74250697

IUPAC5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)N(Cc2cccc(C)c2)CC2CCCO2)cc1=O
InChIInChI=1S/C20H24N2O4/c1-14-5-3-6-15(9-14)12-22(13-16-7-4-8-26-16)20(24)17-10-18(23)19(25-2)11-21-17/h3,5-6,9-11,16H,4,7-8,12-13H2,1-2H3,(H,21,23)
InChIKeyAIFUHGXLONUNGA-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.51
Rot. Bonds6

About 5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide

5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide (PubChem CID 74250697) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide
PubChem CID74250697
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)N(Cc2cccc(C)c2)CC2CCCO2)cc1=O
InChIInChI=1S/C20H24N2O4/c1-14-5-3-6-15(9-14)12-22(13-16-7-4-8-26-16)20(24)17-10-18(23)19(25-2)11-21-17/h3,5-6,9-11,16H,4,7-8,12-13H2,1-2H3,(H,21,23)
InChIKeyAIFUHGXLONUNGA-UHFFFAOYSA-N
XLogP2.51
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 131930390
N-[(3-methoxyphenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 75387976
4,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 86847436
N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60500846
N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97273224
N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide
CID 44779998
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 124843014
2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055429
2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
6-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide
CID 50981472

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of 5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide (CID 74250697) is 5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)N(Cc2cccc(C)c2)CC2CCCO2)cc1=O.
What is the InChIKey of 5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide?
The InChIKey is AIFUHGXLONUNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-5-3-6-15(9-14)12-22(13-16-7-4-8-26-16)20(24)17-10-18(23)19(25-2)11-21-17/h3,5-6,9-11,16H,4,7-8,12-13H2,1-2H3,(H,21,23).
What are the key properties of 5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide?
5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 74250697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).