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

C9H11N5O3 — CID 5278295

IUPAC5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)O)nc1N=C(N)N
InChIInChI=1S/C9H11N5O3/c1-4(15)12-5-2-3-6(8(16)17)13-7(5)14-9(10)11/h2-3H,1H3,(H,12,15)(H,16,17)(H4,10,11,13,14)
InChIKeyGHPBFMJFCNOSSO-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.36
Rot. Bonds3

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

5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid (PubChem CID 5278295) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid
PubChem CID5278295
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)O)nc1N=C(N)N
InChIInChI=1S/C9H11N5O3/c1-4(15)12-5-2-3-6(8(16)17)13-7(5)14-9(10)11/h2-3H,1H3,(H,12,15)(H,16,17)(H4,10,11,13,14)
InChIKeyGHPBFMJFCNOSSO-UHFFFAOYSA-N
XLogP-0.36
TPSA143.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid (CID 5278295) is 5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid is CC(=O)Nc1ccc(C(=O)O)nc1N=C(N)N.
What is the InChIKey of 5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid?
The InChIKey is GHPBFMJFCNOSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-4(15)12-5-2-3-6(8(16)17)13-7(5)14-9(10)11/h2-3H,1H3,(H,12,15)(H,16,17)(H4,10,11,13,14).
What are the key properties of 5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid?
5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of -0.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-6-(diaminomethylideneamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 5278295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).