(E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide

C13H12N2O2 — CID 2117442

IUPAC(E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ccccn1
InChIInChI=1S/C13H12N2O2/c16-13(7-6-12-5-3-9-17-12)15-10-11-4-1-2-8-14-11/h1-9H,10H2,(H,15,16)/b7-6+
InChIKeyRHVPYGDUORFUQO-VOTSOKGWSA-N
MW228.25 g/mol
LogP2.00
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 2117442) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID2117442
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ccccn1
InChIInChI=1S/C13H12N2O2/c16-13(7-6-12-5-3-9-17-12)15-10-11-4-1-2-8-14-11/h1-9H,10H2,(H,15,16)/b7-6+
InChIKeyRHVPYGDUORFUQO-VOTSOKGWSA-N
XLogP2.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 2117442) is (E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccco1)NCc1ccccn1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is RHVPYGDUORFUQO-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(7-6-12-5-3-9-17-12)15-10-11-4-1-2-8-14-11/h1-9H,10H2,(H,15,16)/b7-6+.
What are the key properties of (E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 228.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 2117442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).