4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid

C10H9N3O2 — CID 170483669

IUPAC4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid
SMILESN#Cc1cc(C=CCC(=O)O)cnc1N
InChIInChI=1S/C10H9N3O2/c11-5-8-4-7(6-13-10(8)12)2-1-3-9(14)15/h1-2,4,6H,3H2,(H2,12,13)(H,14,15)
InChIKeyBIQPNCMNFVWAIL-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.02
Rot. Bonds3

About 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid

4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid (PubChem CID 170483669) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid
PubChem CID170483669
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid
SMILESN#Cc1cc(C=CCC(=O)O)cnc1N
InChIInChI=1S/C10H9N3O2/c11-5-8-4-7(6-13-10(8)12)2-1-3-9(14)15/h1-2,4,6H,3H2,(H2,12,13)(H,14,15)
InChIKeyBIQPNCMNFVWAIL-UHFFFAOYSA-N
XLogP1.02
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid 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 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid?
The IUPAC name of 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid (CID 170483669) is 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid.
What is the SMILES notation for 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid?
The canonical SMILES for 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid is N#Cc1cc(C=CCC(=O)O)cnc1N.
What is the InChIKey of 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid?
The InChIKey is BIQPNCMNFVWAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-5-8-4-7(6-13-10(8)12)2-1-3-9(14)15/h1-2,4,6H,3H2,(H2,12,13)(H,14,15).
What are the key properties of 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid?
4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid has a molecular weight of 203.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid is sourced from PubChem (CID 170483669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).