1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide

C24H23N3O3 — CID 56572502

IUPAC1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2cccn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-2-30-21-13-11-20(12-14-21)27(17-7-15-25)24(29)22-10-6-16-26(23(22)28)18-19-8-4-3-5-9-19/h3-6,8-14,16H,2,7,17-18H2,1H3
InChIKeyMTIRPNCOKOBAJG-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.86
Rot. Bonds8

About 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide

1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide (PubChem CID 56572502) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide
PubChem CID56572502
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2cccn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-2-30-21-13-11-20(12-14-21)27(17-7-15-25)24(29)22-10-6-16-26(23(22)28)18-19-8-4-3-5-9-19/h3-6,8-14,16H,2,7,17-18H2,1H3
InChIKeyMTIRPNCOKOBAJG-UHFFFAOYSA-N
XLogP3.86
TPSA75.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-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

1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 56534094
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 56572555
N-(2-cyanoethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethoxyphenyl)propanamide
CID 56534575
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 56572846
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 56534565
6-chloro-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 56572711
N-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382620
N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide
CID 55378041
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
CID 55446331
4,5-dibromo-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 55488066

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide (CID 56572502) is 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide is CCOc1ccc(N(CCC#N)C(=O)c2cccn(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is MTIRPNCOKOBAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-2-30-21-13-11-20(12-14-21)27(17-7-15-25)24(29)22-10-6-16-26(23(22)28)18-19-8-4-3-5-9-19/h3-6,8-14,16H,2,7,17-18H2,1H3.
What are the key properties of 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide?
1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56572502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).