(Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide

C11H12N4O — CID 658334

IUPAC(Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide
SMILESC/C(N)=C(\C#N)C(=O)NCc1ccccn1
InChIInChI=1S/C11H12N4O/c1-8(13)10(6-12)11(16)15-7-9-4-2-3-5-14-9/h2-5H,7,13H2,1H3,(H,15,16)/b10-8-
InChIKeyKFQSWBJCNXOIQK-NTMALXAHSA-N
MW216.24 g/mol
LogP0.45
Rot. Bonds3

About (Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide

(Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide (PubChem CID 658334) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is (Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide
PubChem CID658334
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name(Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide
SMILESC/C(N)=C(\C#N)C(=O)NCc1ccccn1
InChIInChI=1S/C11H12N4O/c1-8(13)10(6-12)11(16)15-7-9-4-2-3-5-14-9/h2-5H,7,13H2,1H3,(H,15,16)/b10-8-
InChIKeyKFQSWBJCNXOIQK-NTMALXAHSA-N
XLogP0.45
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.45
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 (Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide?
The IUPAC name of (Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide (CID 658334) is (Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide.
What is the SMILES notation for (Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide?
The canonical SMILES for (Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide is C/C(N)=C(\C#N)C(=O)NCc1ccccn1.
What is the InChIKey of (Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide?
The InChIKey is KFQSWBJCNXOIQK-NTMALXAHSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8(13)10(6-12)11(16)15-7-9-4-2-3-5-14-9/h2-5H,7,13H2,1H3,(H,15,16)/b10-8-.
What are the key properties of (Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide?
(Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide has a molecular weight of 216.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-cyano-N-(pyridin-2-ylmethyl)but-2-enamide is sourced from PubChem (CID 658334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).