N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide

C12H10N4O2 — CID 6883391

IUPACN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide
SMILESO=C(N/N=C/C=C/c1ccco1)c1cnccn1
InChIInChI=1S/C12H10N4O2/c17-12(11-9-13-6-7-14-11)16-15-5-1-3-10-4-2-8-18-10/h1-9H,(H,16,17)/b3-1+,15-5+
InChIKeyLYJQREZLYZWSAY-FFBKCXOWSA-N
MW242.24 g/mol
LogP1.50
Rot. Bonds4

About N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide

N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide (PubChem CID 6883391) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide
PubChem CID6883391
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC NameN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide
SMILESO=C(N/N=C/C=C/c1ccco1)c1cnccn1
InChIInChI=1S/C12H10N4O2/c17-12(11-9-13-6-7-14-11)16-15-5-1-3-10-4-2-8-18-10/h1-9H,(H,16,17)/b3-1+,15-5+
InChIKeyLYJQREZLYZWSAY-FFBKCXOWSA-N
XLogP1.50
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(furan-2-yl)prop-2-enylideneamino]pyridine-4-carboxamide
CID 2853290
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
CID 6893827
N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 6842495
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6506022
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide
CID 40989624
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
CID 5369634
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
CID 11958888
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 129432020
N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 111481899
N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-naphthalen-2-yloxyacetamide
CID 129441481
N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide
CID 170856265

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide (CID 6883391) is N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide is O=C(N/N=C/C=C/c1ccco1)c1cnccn1.
What is the InChIKey of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide?
The InChIKey is LYJQREZLYZWSAY-FFBKCXOWSA-N. The full InChI is InChI=1S/C12H10N4O2/c17-12(11-9-13-6-7-14-11)16-15-5-1-3-10-4-2-8-18-10/h1-9H,(H,16,17)/b3-1+,15-5+.
What are the key properties of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide?
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 6883391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).