(E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide

C15H20N2O2 — CID 110208369

IUPAC(E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide
SMILESC/C=C/C(=O)NC1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C15H20N2O2/c1-2-5-14(18)17-12-7-9-13(10-8-12)19-15-6-3-4-11-16-15/h2-6,11-13H,7-10H2,1H3,(H,17,18)/b5-2+
InChIKeyBQBANTLNELCTLR-GORDUTHDSA-N
MW260.34 g/mol
LogP2.46
Rot. Bonds4

About (E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide

(E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide (PubChem CID 110208369) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide
PubChem CID110208369
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide
SMILESC/C=C/C(=O)NC1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C15H20N2O2/c1-2-5-14(18)17-12-7-9-13(10-8-12)19-15-6-3-4-11-16-15/h2-6,11-13H,7-10H2,1H3,(H,17,18)/b5-2+
InChIKeyBQBANTLNELCTLR-GORDUTHDSA-N
XLogP2.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide
CID 90634657
2-pyridin-3-yl-N-(4-pyridin-2-yloxycyclohexyl)acetamide
CID 91625997
(E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide
CID 117054632
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
3-(2,4-dioxopyrimidin-1-yl)-N-(4-pyridin-2-yloxycyclohexyl)propanamide
CID 91625957
ethane;2-piperidin-4-yloxypyridine
CID 142889945
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
(E)-3-(1,3-benzodioxol-5-yl)-N-(4-pyrimidin-2-yloxycyclohexyl)prop-2-enamide
CID 90633289
(E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide
CID 117054585
1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633469
(E)-N-(pyridin-2-ylmethyl)but-2-enamide
CID 110459675

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide?
The IUPAC name of (E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide (CID 110208369) is (E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide.
What is the SMILES notation for (E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide?
The canonical SMILES for (E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide is C/C=C/C(=O)NC1CCC(Oc2ccccn2)CC1.
What is the InChIKey of (E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide?
The InChIKey is BQBANTLNELCTLR-GORDUTHDSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-5-14(18)17-12-7-9-13(10-8-12)19-15-6-3-4-11-16-15/h2-6,11-13H,7-10H2,1H3,(H,17,18)/b5-2+.
What are the key properties of (E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide?
(E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide is sourced from PubChem (CID 110208369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).