(E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide

C26H23N3O — CID 126726893

IUPAC(E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide
SMILESN#C/C(=C\c1cccc(-c2ccccc2)n1)C(=O)NC1(c2ccccc2)CCCC1
InChIInChI=1S/C26H23N3O/c27-19-21(18-23-14-9-15-24(28-23)20-10-3-1-4-11-20)25(30)29-26(16-7-8-17-26)22-12-5-2-6-13-22/h1-6,9-15,18H,7-8,16-17H2,(H,29,30)/b21-18+
InChIKeyFHGDZWLHUKZSBZ-DYTRJAOYSA-N
MW393.49 g/mol
LogP5.24
Rot. Bonds5

About (E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide

(E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide (PubChem CID 126726893) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is (E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide
PubChem CID126726893
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name(E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide
SMILESN#C/C(=C\c1cccc(-c2ccccc2)n1)C(=O)NC1(c2ccccc2)CCCC1
InChIInChI=1S/C26H23N3O/c27-19-21(18-23-14-9-15-24(28-23)20-10-3-1-4-11-20)25(30)29-26(16-7-8-17-26)22-12-5-2-6-13-22/h1-6,9-15,18H,7-8,16-17H2,(H,29,30)/b21-18+
InChIKeyFHGDZWLHUKZSBZ-DYTRJAOYSA-N
XLogP5.24
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.24
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide (CID 126726893) is (E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide is N#C/C(=C\c1cccc(-c2ccccc2)n1)C(=O)NC1(c2ccccc2)CCCC1.
What is the InChIKey of (E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide?
The InChIKey is FHGDZWLHUKZSBZ-DYTRJAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c27-19-21(18-23-14-9-15-24(28-23)20-10-3-1-4-11-20)25(30)29-26(16-7-8-17-26)22-12-5-2-6-13-22/h1-6,9-15,18H,7-8,16-17H2,(H,29,30)/b21-18+.
What are the key properties of (E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide?
(E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide has a molecular weight of 393.49 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(1-phenylcyclopentyl)-3-(6-phenyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 126726893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).