N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide

C15H10ClN3O — CID 4654702

IUPACN-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
SMILESN#CC(=Cc1cccnc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3O/c16-13-3-5-14(6-4-13)19-15(20)12(9-17)8-11-2-1-7-18-10-11/h1-8,10H,(H,19,20)
InChIKeyMATFNXIHGVRLAD-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.28
Rot. Bonds3

About N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide

N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide (PubChem CID 4654702) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
PubChem CID4654702
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC NameN-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
SMILESN#CC(=Cc1cccnc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3O/c16-13-3-5-14(6-4-13)19-15(20)12(9-17)8-11-2-1-7-18-10-11/h1-8,10H,(H,19,20)
InChIKeyMATFNXIHGVRLAD-UHFFFAOYSA-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

(Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 19183466
(Z)-3-(4-bromophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 1251627
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 112979270
N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
CID 1354799
(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 19183690
(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide
CID 2688662
(E)-N-(4-chlorophenyl)-2-cyano-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 6859436
(Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 1270006
(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-phenylprop-2-enamide
CID 35728453
methyl 4-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]benzoate
CID 1268757
N-(4-chlorophenyl)-2-cyano-3-(2-methylphenyl)prop-2-enamide
CID 2865855
(E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 2688597

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide (CID 4654702) is N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide is N#CC(=Cc1cccnc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide?
The InChIKey is MATFNXIHGVRLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-13-3-5-14(6-4-13)19-15(20)12(9-17)8-11-2-1-7-18-10-11/h1-8,10H,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide?
N-(4-chlorophenyl)-2-cyano-3-pyridin-3-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 N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 4654702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).