N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine

C15H13ClN2 — CID 134582179

IUPACN-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine
SMILESC=C(/C=C/c1ccccc1Cl)Nc1ccccn1
InChIInChI=1S/C15H13ClN2/c1-12(18-15-8-4-5-11-17-15)9-10-13-6-2-3-7-14(13)16/h2-11H,1H2,(H,17,18)/b10-9+
InChIKeyBZCWMYQEOIKECN-MDZDMXLPSA-N
MW256.74 g/mol
LogP4.37
Rot. Bonds4

About N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine

N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine (PubChem CID 134582179) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine
PubChem CID134582179
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC NameN-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine
SMILESC=C(/C=C/c1ccccc1Cl)Nc1ccccn1
InChIInChI=1S/C15H13ClN2/c1-12(18-15-8-4-5-11-17-15)9-10-13-6-2-3-7-14(13)16/h2-11H,1H2,(H,17,18)/b10-9+
InChIKeyBZCWMYQEOIKECN-MDZDMXLPSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine 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)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6025623
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide
CID 8022996
2-[2-(2-chlorophenyl)ethenyl]pyridin-3-ol
CID 54048718
3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 3289911
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
CID 59205815
N-(3-iodoprop-1-en-2-yl)pyridin-2-amine
CID 155022725
(3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 51960641
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
(E)-3-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 966115
3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
CID 4677727

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine?
The IUPAC name of N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine (CID 134582179) is N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine?
The canonical SMILES for N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine is C=C(/C=C/c1ccccc1Cl)Nc1ccccn1.
What is the InChIKey of N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine?
The InChIKey is BZCWMYQEOIKECN-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-12(18-15-8-4-5-11-17-15)9-10-13-6-2-3-7-14(13)16/h2-11H,1H2,(H,17,18)/b10-9+.
What are the key properties of N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine?
N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine has a molecular weight of 256.74 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine is sourced from PubChem (CID 134582179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).