(2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide

C14H12N4O — CID 177428562

IUPAC(2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide
SMILESN#C/C(C(=O)NCc1ccccc1)=C1/C=NC=CN1
InChIInChI=1S/C14H12N4O/c15-8-12(13-10-16-6-7-17-13)14(19)18-9-11-4-2-1-3-5-11/h1-7,10,17H,9H2,(H,18,19)/b13-12+
InChIKeyWSGPFZUWEKYXBH-OUKQBFOZSA-N
MW252.28 g/mol
LogP1.23
Rot. Bonds3

About (2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide

(2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide (PubChem CID 177428562) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is (2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide
PubChem CID177428562
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name(2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide
SMILESN#C/C(C(=O)NCc1ccccc1)=C1/C=NC=CN1
InChIInChI=1S/C14H12N4O/c15-8-12(13-10-16-6-7-17-13)14(19)18-9-11-4-2-1-3-5-11/h1-7,10,17H,9H2,(H,18,19)/b13-12+
InChIKeyWSGPFZUWEKYXBH-OUKQBFOZSA-N
XLogP1.23
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-cyano-2-cyclooctylideneacetamide
CID 4511559
(2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide
CID 135348773
(Z)-N-benzyl-2-cyano-3-hydroxybut-2-enamide
CID 67840001
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide
CID 135348739
N-benzyl-2-cyano-3-hydroxypent-2-enamide
CID 140970102
(Z)-3-amino-N-benzyl-2-cyanobut-2-enamide
CID 91998931
(E)-N-benzyl-2-cyano-3-(pyridin-3-ylmethylamino)but-2-enamide
CID 919634
N'-benzyloxamide
CID 561416
(2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 2028555
N-benzyl-2-methylidenepentanamide
CID 130015312
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924

Frequently Asked Questions

What is the IUPAC name of (2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide?
The IUPAC name of (2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide (CID 177428562) is (2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide.
What is the SMILES notation for (2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide?
The canonical SMILES for (2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide is N#C/C(C(=O)NCc1ccccc1)=C1/C=NC=CN1.
What is the InChIKey of (2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide?
The InChIKey is WSGPFZUWEKYXBH-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H12N4O/c15-8-12(13-10-16-6-7-17-13)14(19)18-9-11-4-2-1-3-5-11/h1-7,10,17H,9H2,(H,18,19)/b13-12+.
What are the key properties of (2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide?
(2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide has a molecular weight of 252.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-benzyl-2-cyano-2-(1H-pyrazin-2-ylidene)acetamide is sourced from PubChem (CID 177428562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).