(E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide

C13H16N2O2 — CID 170877006

IUPAC(E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide
SMILESNC(=O)/C=C/c1cccnc1OC1CCCC1
InChIInChI=1S/C13H16N2O2/c14-12(16)8-7-10-4-3-9-15-13(10)17-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H2,14,16)/b8-7+
InChIKeyKHCQDAPLEVBJIK-BQYQJAHWSA-N
MW232.28 g/mol
LogP1.90
Rot. Bonds4

About (E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide

(E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide (PubChem CID 170877006) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide
PubChem CID170877006
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide
SMILESNC(=O)/C=C/c1cccnc1OC1CCCC1
InChIInChI=1S/C13H16N2O2/c14-12(16)8-7-10-4-3-9-15-13(10)17-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H2,14,16)/b8-7+
InChIKeyKHCQDAPLEVBJIK-BQYQJAHWSA-N
XLogP1.90
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide (CID 170877006) is (E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide is NC(=O)/C=C/c1cccnc1OC1CCCC1.
What is the InChIKey of (E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide?
The InChIKey is KHCQDAPLEVBJIK-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-12(16)8-7-10-4-3-9-15-13(10)17-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H2,14,16)/b8-7+.
What are the key properties of (E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide?
(E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide has a molecular weight of 232.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 170877006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).