(E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide

C25H23N3O — CID 8834576

IUPAC(E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H23N3O/c1-2-20-5-11-23(12-6-20)18-28(19-24-4-3-15-27-17-24)25(29)14-13-21-7-9-22(16-26)10-8-21/h3-15,17H,2,18-19H2,1H3/b14-13+
InChIKeyYQYZAFWKXIUGHP-BUHFOSPRSA-N
MW381.48 g/mol
LogP4.76
Rot. Bonds7

About (E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide

(E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 8834576) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is (E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID8834576
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name(E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H23N3O/c1-2-20-5-11-23(12-6-20)18-28(19-24-4-3-15-27-17-24)25(29)14-13-21-7-9-22(16-26)10-8-21/h3-15,17H,2,18-19H2,1H3/b14-13+
InChIKeyYQYZAFWKXIUGHP-BUHFOSPRSA-N
XLogP4.76
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide 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-(2-cyanoethyl)-3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78805523
3-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76909164
3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 61233426
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 78792703
methyl 4-[3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]-3-oxoprop-1-enyl]benzoate
CID 76857234
N-(furan-2-ylmethyl)-3-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 76857227
3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 76868208
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 97377783
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777
(E)-3-(4-cyanophenyl)-N-[(4-methoxyphenyl)methyl]-N-[(2-nitrophenyl)methyl]prop-2-enamide
CID 152921373

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 8834576) is (E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide is CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccc(C#N)cc2)cc1.
What is the InChIKey of (E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is YQYZAFWKXIUGHP-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H23N3O/c1-2-20-5-11-23(12-6-20)18-28(19-24-4-3-15-27-17-24)25(29)14-13-21-7-9-22(16-26)10-8-21/h3-15,17H,2,18-19H2,1H3/b14-13+.
What are the key properties of (E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
(E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 381.48 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 8834576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).