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

C20H22N2O — CID 800217

IUPAC(E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C20H22N2O/c23-20(15-14-17-9-3-1-4-10-17)22(18-11-5-2-6-12-18)19-13-7-8-16-21-19/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2/b15-14+
InChIKeyHSBFLGYFGMAAOD-CCEZHUSRSA-N
MW306.41 g/mol
LogP4.46
Rot. Bonds4

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

(E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide (PubChem CID 800217) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide
PubChem CID800217
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C20H22N2O/c23-20(15-14-17-9-3-1-4-10-17)22(18-11-5-2-6-12-18)19-13-7-8-16-21-19/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2/b15-14+
InChIKeyHSBFLGYFGMAAOD-CCEZHUSRSA-N
XLogP4.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine
CID 154932235
N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 77404867
benzyl N-cyclopropyl-N-pyridin-2-ylcarbamate
CID 110723115
4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide
CID 123580869
3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide
CID 4513066
(E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide
CID 53234949
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
5-chloro-N-cyclopentyl-N-pyridin-2-ylthiophene-3-carboxamide
CID 122143545
1-cyclohexyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]urea
CID 67489628
(E)-N-cyclohexyl-4-(3,4-dihydroxyphenyl)-2-methyl-N-pyridin-2-ylbut-2-enamide
CID 89471645
tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate
CID 134394425
2-[cyclopropyl(pyridin-2-yl)amino]acetic acid
CID 82372467

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide (CID 800217) is (E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1ccccc1)N(c1ccccn1)C1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide?
The InChIKey is HSBFLGYFGMAAOD-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H22N2O/c23-20(15-14-17-9-3-1-4-10-17)22(18-11-5-2-6-12-18)19-13-7-8-16-21-19/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2/b15-14+.
What are the key properties of (E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide?
(E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide has a molecular weight of 306.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 800217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).