(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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Related Compounds

carbon dioxide;(E)-2-cyano-3-[6-(2-fluorophenyl)-2-pyridinyl]-N-(1-phenylcyclopentyl)prop-2-enamide
CID 158602808
(E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-(1-phenylcyclobutyl)prop-2-enamide
CID 118559683
2-[4-[1-[[3-(6-bromo-2-pyridinyl)-2-cyanoprop-2-enoyl]amino]cyclopentyl]phenoxy]acetic acid
CID 118559634
(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-(1-phenylcyclopentyl)prop-2-enamide
CID 118559684
(E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[1-[4-(6-hydroxyhex-1-ynyl)phenyl]cyclopentyl]prop-2-enamide
CID 158015362
(E)-3-(5-chloro-3-fluoro-2-pyridinyl)-2-cyano-N-(1-phenylcyclopentyl)prop-2-enamide
CID 118559595
(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-(1-phenylcyclopentyl)prop-2-enamide
CID 118559631
(E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[1-[4-(hydroxymethyl)phenyl]cyclopentyl]prop-2-enamide;bis([4-[1-[[(E)-3-(6-bromo-2-pyridinyl)-2-cyanoprop-2-enoyl]amino]cyclopentyl]phenyl]methyl tetradecanoate);tetradecanoic acid
CID 158004380
2-cyano-3-(6-methyl-2-pyridinyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 66990023
(E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[(S)-cyclopentyl(phenyl)methyl]prop-2-enamide;sulfane
CID 157496918
N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 110466935
ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate
CID 110481846

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).