(E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide

C21H21N3O — CID 6026627

IUPAC(E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C21H21N3O/c22-16-18(15-17-9-3-1-4-10-17)21(25)24(19-11-5-2-6-12-19)20-13-7-8-14-23-20/h1,3-4,7-10,13-15,19H,2,5-6,11-12H2/b18-15+
InChIKeyWKWQEKKFIWDBQQ-OBGWFSINSA-N
MW331.42 g/mol
LogP4.35
Rot. Bonds4

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

(E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide (PubChem CID 6026627) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide
PubChem CID6026627
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C21H21N3O/c22-16-18(15-17-9-3-1-4-10-17)21(25)24(19-11-5-2-6-12-19)20-13-7-8-14-23-20/h1,3-4,7-10,13-15,19H,2,5-6,11-12H2/b18-15+
InChIKeyWKWQEKKFIWDBQQ-OBGWFSINSA-N
XLogP4.35
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide (CID 6026627) is (E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide is N#C/C(=C\c1ccccc1)C(=O)N(c1ccccn1)C1CCCCC1.
What is the InChIKey of (E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide?
The InChIKey is WKWQEKKFIWDBQQ-OBGWFSINSA-N. The full InChI is InChI=1S/C21H21N3O/c22-16-18(15-17-9-3-1-4-10-17)21(25)24(19-11-5-2-6-12-19)20-13-7-8-14-23-20/h1,3-4,7-10,13-15,19H,2,5-6,11-12H2/b18-15+.
What are the key properties of (E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide?
(E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide has a molecular weight of 331.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 6026627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).