(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide

C18H15N3O2 — CID 121198721

IUPAC(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1nccnc1-c1ccco1
InChIInChI=1S/C18H15N3O2/c22-17(9-8-14-5-2-1-3-6-14)21-13-15-18(20-11-10-19-15)16-7-4-12-23-16/h1-12H,13H2,(H,21,22)/b9-8+
InChIKeyWURKZRXMQUWPFN-CMDGGOBGSA-N
MW305.34 g/mol
LogP3.07
Rot. Bonds5

About (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide

(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide (PubChem CID 121198721) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide
PubChem CID121198721
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1nccnc1-c1ccco1
InChIInChI=1S/C18H15N3O2/c22-17(9-8-14-5-2-1-3-6-14)21-13-15-18(20-11-10-19-15)16-7-4-12-23-16/h1-12H,13H2,(H,21,22)/b9-8+
InChIKeyWURKZRXMQUWPFN-CMDGGOBGSA-N
XLogP3.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide
CID 171136911
(E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
CID 117055113
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide
CID 121198828
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
CID 121199008
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-pyrrol-1-ylacetamide
CID 121198831
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]oxane-4-carboxamide
CID 121198919
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121198894
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 121198890
3-fluoro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pyridine-4-carboxamide
CID 119105905
3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide
CID 121198786
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 119105901

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide (CID 121198721) is (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCc1nccnc1-c1ccco1.
What is the InChIKey of (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide?
The InChIKey is WURKZRXMQUWPFN-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17(9-8-14-5-2-1-3-6-14)21-13-15-18(20-11-10-19-15)16-7-4-12-23-16/h1-12H,13H2,(H,21,22)/b9-8+.
What are the key properties of (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide?
(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide has a molecular weight of 305.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 121198721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).