(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide

C14H13N3O — CID 168818983

IUPAC(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1cccnc1
InChIInChI=1S/C14H13N3O/c15-12-5-1-2-6-13(12)17-14(18)8-7-11-4-3-9-16-10-11/h1-10H,15H2,(H,17,18)/b8-7+
InChIKeyJVWCXVIJESOEGW-BQYQJAHWSA-N
MW239.28 g/mol
LogP2.32
Rot. Bonds3

About (E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide

(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 168818983) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID168818983
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1cccnc1
InChIInChI=1S/C14H13N3O/c15-12-5-1-2-6-13(12)17-14(18)8-7-11-4-3-9-16-10-11/h1-10H,15H2,(H,17,18)/b8-7+
InChIKeyJVWCXVIJESOEGW-BQYQJAHWSA-N
XLogP2.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(2-aminophenyl)-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

2-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 68947325
(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148246
(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148193
(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 20786027
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 97376539
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide
CID 126611433
3-methyl-4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid
CID 43169386
2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine
CID 19796340
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide (CID 168818983) is (E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1cccnc1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is JVWCXVIJESOEGW-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13N3O/c15-12-5-1-2-6-13(12)17-14(18)8-7-11-4-3-9-16-10-11/h1-10H,15H2,(H,17,18)/b8-7+.
What are the key properties of (E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide?
(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 239.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 168818983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).