(E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide

C20H18N2O — CID 164611177

IUPAC(E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
SMILESCN(C)C(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C20H18N2O/c1-22(2)20(23)10-9-16-11-12-21-14-19(16)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3/b10-9+
InChIKeyJYHNLDQTJYGLIQ-MDZDMXLPSA-N
MW302.38 g/mol
LogP4.00
Rot. Bonds3

About (E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide

(E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide (PubChem CID 164611177) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
PubChem CID164611177
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name(E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
SMILESCN(C)C(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C20H18N2O/c1-22(2)20(23)10-9-16-11-12-21-14-19(16)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3/b10-9+
InChIKeyJYHNLDQTJYGLIQ-MDZDMXLPSA-N
XLogP4.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide (CID 164611177) is (E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide is CN(C)C(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1.
What is the InChIKey of (E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
The InChIKey is JYHNLDQTJYGLIQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H18N2O/c1-22(2)20(23)10-9-16-11-12-21-14-19(16)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3/b10-9+.
What are the key properties of (E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
(E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide has a molecular weight of 302.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide is sourced from PubChem (CID 164611177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).