(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide

C15H20N2O2 — CID 103798326

IUPAC(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NC1CCCCC1CO
InChIInChI=1S/C15H20N2O2/c18-11-13-5-1-2-6-14(13)17-15(19)8-7-12-4-3-9-16-10-12/h3-4,7-10,13-14,18H,1-2,5-6,11H2,(H,17,19)/b8-7+
InChIKeyLEPIKOHRLGAEQI-BQYQJAHWSA-N
MW260.34 g/mol
LogP1.76
Rot. Bonds4

About (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 103798326) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID103798326
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NC1CCCCC1CO
InChIInChI=1S/C15H20N2O2/c18-11-13-5-1-2-6-14(13)17-15(19)8-7-12-4-3-9-16-10-12/h3-4,7-10,13-14,18H,1-2,5-6,11H2,(H,17,19)/b8-7+
InChIKeyLEPIKOHRLGAEQI-BQYQJAHWSA-N
XLogP1.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115
(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798358
(E)-3-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798353
(E)-3-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860499
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide
CID 103751562
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103860266
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 103774213
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 103774226
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 103860357

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide (CID 103798326) is (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NC1CCCCC1CO.
What is the InChIKey of (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is LEPIKOHRLGAEQI-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-11-13-5-1-2-6-14(13)17-15(19)8-7-12-4-3-9-16-10-12/h3-4,7-10,13-14,18H,1-2,5-6,11H2,(H,17,19)/b8-7+.
What are the key properties of (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 103798326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).