5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid

C9H12N6O3 — CID 5278298

IUPAC5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid
SMILESCC(=O)Nc1c(N)cc(C(=O)O)nc1N=C(N)N
InChIInChI=1S/C9H12N6O3/c1-3(16)13-6-4(10)2-5(8(17)18)14-7(6)15-9(11)12/h2H,1H3,(H,13,16)(H,17,18)(H6,10,11,12,14,15)
InChIKeyOTYOERJVFOHISU-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.77
Rot. Bonds3

About 5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid

5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid (PubChem CID 5278298) has the molecular formula C9H12N6O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid
PubChem CID5278298
Molecular FormulaC9H12N6O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Name5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid
SMILESCC(=O)Nc1c(N)cc(C(=O)O)nc1N=C(N)N
InChIInChI=1S/C9H12N6O3/c1-3(16)13-6-4(10)2-5(8(17)18)14-7(6)15-9(11)12/h2H,1H3,(H,13,16)(H,17,18)(H6,10,11,12,14,15)
InChIKeyOTYOERJVFOHISU-UHFFFAOYSA-N
XLogP-0.77
TPSA169.71 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic 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 5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid (CID 5278298) is 5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid is CC(=O)Nc1c(N)cc(C(=O)O)nc1N=C(N)N.
What is the InChIKey of 5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid?
The InChIKey is OTYOERJVFOHISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3/c1-3(16)13-6-4(10)2-5(8(17)18)14-7(6)15-9(11)12/h2H,1H3,(H,13,16)(H,17,18)(H6,10,11,12,14,15).
What are the key properties of 5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid?
5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of -0.77, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-amino-6-(diaminomethylideneamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 5278298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).