2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide

C17H17N3O3 — CID 75430569

IUPAC2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2ccc(C)c(C#N)c2=O)c1
InChIInChI=1S/C17H17N3O3/c1-12-6-7-20(17(22)15(12)9-18)11-16(21)19-10-13-4-3-5-14(8-13)23-2/h3-8H,10-11H2,1-2H3,(H,19,21)
InChIKeyJGPNZRSYYVUINI-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.35
Rot. Bonds5

About 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide

2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 75430569) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID75430569
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2ccc(C)c(C#N)c2=O)c1
InChIInChI=1S/C17H17N3O3/c1-12-6-7-20(17(22)15(12)9-18)11-16(21)19-10-13-4-3-5-14(8-13)23-2/h3-8H,10-11H2,1-2H3,(H,19,21)
InChIKeyJGPNZRSYYVUINI-UHFFFAOYSA-N
XLogP1.35
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide 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

2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 91887377
N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 55718467
N-[(3-methoxyphenyl)methyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602329
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784198
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide (CID 75430569) is 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cn2ccc(C)c(C#N)c2=O)c1.
What is the InChIKey of 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is JGPNZRSYYVUINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12-6-7-20(17(22)15(12)9-18)11-16(21)19-10-13-4-3-5-14(8-13)23-2/h3-8H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 311.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 75430569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).