(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide

C19H13N3O — CID 2688662

IUPAC(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide
SMILESN#C/C(=C\c1cccnc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H13N3O/c20-12-16(11-14-5-4-10-21-13-14)19(23)22-18-9-3-7-15-6-1-2-8-17(15)18/h1-11,13H,(H,22,23)/b16-11+
InChIKeyMAYMTFZAHCHBDE-LFIBNONCSA-N
MW299.33 g/mol
LogP3.78
Rot. Bonds3

About (E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide

(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide (PubChem CID 2688662) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is (E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide
PubChem CID2688662
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide
SMILESN#C/C(=C\c1cccnc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H13N3O/c20-12-16(11-14-5-4-10-21-13-14)19(23)22-18-9-3-7-15-6-1-2-8-17(15)18/h1-11,13H,(H,22,23)/b16-11+
InChIKeyMAYMTFZAHCHBDE-LFIBNONCSA-N
XLogP3.78
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-naphthalen-1-yl-3-pyridin-3-ylprop-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

(E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 7559871
3-anthracen-9-yl-2-cyano-N-naphthalen-1-ylprop-2-enamide
CID 3936852
(Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 19183466
2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 2790612
N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
CID 4654702
2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide
CID 958150
(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 875169
(Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 60591928
(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 19183690
(Z)-2-cyano-3-(naphthalen-1-ylamino)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837477
(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 52901425
(E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 7967270

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide (CID 2688662) is (E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide is N#C/C(=C\c1cccnc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide?
The InChIKey is MAYMTFZAHCHBDE-LFIBNONCSA-N. The full InChI is InChI=1S/C19H13N3O/c20-12-16(11-14-5-4-10-21-13-14)19(23)22-18-9-3-7-15-6-1-2-8-17(15)18/h1-11,13H,(H,22,23)/b16-11+.
What are the key properties of (E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide?
(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide has a molecular weight of 299.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 2688662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).