(E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

C24H21N3O2 — CID 55769108

IUPAC(E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccn3)cc2)c(C)c1
InChIInChI=1S/C24H21N3O2/c1-17-6-11-23(18(2)13-17)27-24(28)20(15-25)14-19-7-9-22(10-8-19)29-16-21-5-3-4-12-26-21/h3-14H,16H2,1-2H3,(H,27,28)/b20-14+
InChIKeySIYPDIOMLSJWNH-XSFVSMFZSA-N
MW383.45 g/mol
LogP4.82
Rot. Bonds6

About (E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

(E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 55769108) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
PubChem CID55769108
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccn3)cc2)c(C)c1
InChIInChI=1S/C24H21N3O2/c1-17-6-11-23(18(2)13-17)27-24(28)20(15-25)14-19-7-9-22(10-8-19)29-16-21-5-3-4-12-26-21/h3-14H,16H2,1-2H3,(H,27,28)/b20-14+
InChIKeySIYPDIOMLSJWNH-XSFVSMFZSA-N
XLogP4.82
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]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

2-cyano-N-(2,4-dimethylphenyl)-3-(4-octoxyphenyl)prop-2-enamide
CID 4557148
2-cyano-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 3701687
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 126013024
(E)-2-cyano-3-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 126263424
N,N'-bis(2-methylphenyl)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide
CID 55769173
(Z)-2-cyano-N-(2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 98859448
(Z)-3-(4-chlorophenyl)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 2359124
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enamide
CID 51428563
(E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide
CID 7966917
5-[(Z)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]-2-phenylmethoxybenzoic acid
CID 126054711
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide
CID 6170562
(E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide
CID 39773062

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide (CID 55769108) is (E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccn3)cc2)c(C)c1.
What is the InChIKey of (E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is SIYPDIOMLSJWNH-XSFVSMFZSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17-6-11-23(18(2)13-17)27-24(28)20(15-25)14-19-7-9-22(10-8-19)29-16-21-5-3-4-12-26-21/h3-14H,16H2,1-2H3,(H,27,28)/b20-14+.
What are the key properties of (E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 383.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 55769108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).