1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide

C21H20N2O3 — CID 75461382

IUPAC1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2ccccc2OCc2ccccc2)cc1=O
InChIInChI=1S/C21H20N2O3/c1-23-12-11-17(13-20(23)24)21(25)22-14-18-9-5-6-10-19(18)26-15-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,22,25)
InChIKeyMNCORTBNCVOGAQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.89
Rot. Bonds6

About 1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide

1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 75461382) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID75461382
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2ccccc2OCc2ccccc2)cc1=O
InChIInChI=1S/C21H20N2O3/c1-23-12-11-17(13-20(23)24)21(25)22-14-18-9-5-6-10-19(18)26-15-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,22,25)
InChIKeyMNCORTBNCVOGAQ-UHFFFAOYSA-N
XLogP2.89
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-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-methoxyphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35676429
N-[(3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103612084
1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide
CID 55574430
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103747290
3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide
CID 23019932
N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440806
1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 55803883
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide
CID 51123622

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide (CID 75461382) is 1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide is Cn1ccc(C(=O)NCc2ccccc2OCc2ccccc2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is MNCORTBNCVOGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-23-12-11-17(13-20(23)24)21(25)22-14-18-9-5-6-10-19(18)26-15-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,22,25).
What are the key properties of 1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide?
1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 75461382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).