(E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide

C14H10N4O2 — CID 75408017

IUPAC(E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(Oc2cnccn2)cc1)C(N)=O
InChIInChI=1S/C14H10N4O2/c15-8-11(14(16)19)7-10-1-3-12(4-2-10)20-13-9-17-5-6-18-13/h1-7,9H,(H2,16,19)/b11-7+
InChIKeyRDPMSEYMNZQWNH-YRNVUSSQSA-N
MW266.26 g/mol
LogP1.66
Rot. Bonds4

About (E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide

(E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide (PubChem CID 75408017) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide
PubChem CID75408017
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name(E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(Oc2cnccn2)cc1)C(N)=O
InChIInChI=1S/C14H10N4O2/c15-8-11(14(16)19)7-10-1-3-12(4-2-10)20-13-9-17-5-6-18-13/h1-7,9H,(H2,16,19)/b11-7+
InChIKeyRDPMSEYMNZQWNH-YRNVUSSQSA-N
XLogP1.66
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877
(Z)-3-(4-butoxyphenyl)-2-cyanoprop-2-enamide
CID 2198362
(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide
CID 843298
2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
CID 3559677
2-cyano-3-[4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4816639
(E)-2-cyano-3-[3-(3,4-dichlorophenoxy)phenyl]prop-2-enamide
CID 155552183
(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide
CID 56840682
(E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 57390634
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 2372249
2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 2732895
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
CID 736695
(1R)-1-(4-pyrazin-2-yloxyphenyl)ethanol
CID 7101331

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide (CID 75408017) is (E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide is N#C/C(=C\c1ccc(Oc2cnccn2)cc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide?
The InChIKey is RDPMSEYMNZQWNH-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H10N4O2/c15-8-11(14(16)19)7-10-1-3-12(4-2-10)20-13-9-17-5-6-18-13/h1-7,9H,(H2,16,19)/b11-7+.
What are the key properties of (E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide?
(E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide has a molecular weight of 266.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-pyrazin-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 75408017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).