2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide

C17H17N3O2 — CID 3313060

IUPAC2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide
SMILESCCOc1ccc(NC(=O)C(C#N)Cc2ccncc2)cc1
InChIInChI=1S/C17H17N3O2/c1-2-22-16-5-3-15(4-6-16)20-17(21)14(12-18)11-13-7-9-19-10-8-13/h3-10,14H,2,11H2,1H3,(H,20,21)
InChIKeyNAYWUIGHNQBAPW-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.80
Rot. Bonds6

About 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide

2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide (PubChem CID 3313060) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide
PubChem CID3313060
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide
SMILESCCOc1ccc(NC(=O)C(C#N)Cc2ccncc2)cc1
InChIInChI=1S/C17H17N3O2/c1-2-22-16-5-3-15(4-6-16)20-17(21)14(12-18)11-13-7-9-19-10-8-13/h3-10,14H,2,11H2,1H3,(H,20,21)
InChIKeyNAYWUIGHNQBAPW-UHFFFAOYSA-N
XLogP2.80
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide 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-(4-ethoxyphenyl)-3-pyridin-3-ylpropanamide
CID 3169988
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide
CID 108855605
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845
(2R)-2-cyano-N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 5413283
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
(2R)-2-cyano-3-[4-[(3,4-dichlorophenoxy)methyl]-3-ethoxyphenyl]-N-(3-ethoxyphenyl)propanamide
CID 27876869
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide
CID 115188126
2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide
CID 154386442
(2R)-2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide
CID 7079963
(2S,3R)-2-acetyl-4,4-dicyano-3-(4-ethoxyphenyl)-N-(4-fluorophenyl)butanamide
CID 1349924
(2R,3R)-2-acetyl-4,4-dicyano-3-(4-ethoxyphenyl)-N-(4-fluorophenyl)butanamide
CID 1349922

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide (CID 3313060) is 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide is CCOc1ccc(NC(=O)C(C#N)Cc2ccncc2)cc1.
What is the InChIKey of 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide?
The InChIKey is NAYWUIGHNQBAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-22-16-5-3-15(4-6-16)20-17(21)14(12-18)11-13-7-9-19-10-8-13/h3-10,14H,2,11H2,1H3,(H,20,21).
What are the key properties of 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide?
2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide has a molecular weight of 295.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 3313060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).