2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid

C8H8N4O2 — CID 82817313

IUPAC2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid
SMILESN#Cc1ccnc(NCC(=O)O)c1N
InChIInChI=1S/C8H8N4O2/c9-3-5-1-2-11-8(7(5)10)12-4-6(13)14/h1-2H,4,10H2,(H,11,12)(H,13,14)
InChIKeyMAUZFKKJGZAESZ-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.03
Rot. Bonds3

About 2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid

2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid (PubChem CID 82817313) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid
PubChem CID82817313
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid
SMILESN#Cc1ccnc(NCC(=O)O)c1N
InChIInChI=1S/C8H8N4O2/c9-3-5-1-2-11-8(7(5)10)12-4-6(13)14/h1-2H,4,10H2,(H,11,12)(H,13,14)
InChIKeyMAUZFKKJGZAESZ-UHFFFAOYSA-N
XLogP0.03
TPSA112.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic 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 2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid (CID 82817313) is 2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid is N#Cc1ccnc(NCC(=O)O)c1N.
What is the InChIKey of 2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid?
The InChIKey is MAUZFKKJGZAESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-3-5-1-2-11-8(7(5)10)12-4-6(13)14/h1-2H,4,10H2,(H,11,12)(H,13,14).
What are the key properties of 2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid?
2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid has a molecular weight of 192.18 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 82817313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).