(E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide

C15H10ClN3O — CID 29021882

IUPAC(E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide
SMILESN#C/C(=C\c1ccccn1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H10ClN3O/c16-12-4-3-6-14(9-12)19-15(20)11(10-17)8-13-5-1-2-7-18-13/h1-9H,(H,19,20)/b11-8+
InChIKeyXOUWAWNKDZRELT-DHZHZOJOSA-N
MW283.72 g/mol
LogP3.28
Rot. Bonds3

About (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide

(E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide (PubChem CID 29021882) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide
PubChem CID29021882
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name(E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide
SMILESN#C/C(=C\c1ccccn1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H10ClN3O/c16-12-4-3-6-14(9-12)19-15(20)11(10-17)8-13-5-1-2-7-18-13/h1-9H,(H,19,20)/b11-8+
InChIKeyXOUWAWNKDZRELT-DHZHZOJOSA-N
XLogP3.28
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.28
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'}

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Related Compounds

N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide
CID 3278531
(Z)-3-(3-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920705
(E)-N-(3-chlorophenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 21206054
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(3-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108860570
(E)-3-(3-bromophenyl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 27129765
(E)-3-(2-chloro-6-fluorophenyl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 40598329
N-(3-chlorophenyl)-2-cyano-3-(dimethylamino)prop-2-enamide
CID 3759138
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-nitrophenyl)prop-2-enamide
CID 119056356
(Z)-3-(2-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920704
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-hydroxyanilino)prop-2-enamide
CID 108860407
(Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 2713850
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816915

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide (CID 29021882) is (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide is N#C/C(=C\c1ccccn1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide?
The InChIKey is XOUWAWNKDZRELT-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-12-4-3-6-14(9-12)19-15(20)11(10-17)8-13-5-1-2-7-18-13/h1-9H,(H,19,20)/b11-8+.
What are the key properties of (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide?
(E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide has a molecular weight of 283.72 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 29021882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).