5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane

C15H17N5O2 — CID 167448618

IUPAC5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane
SMILESCC.N#Cc1ccc(N(N)c2ncc(C(=O)O)cc2N)cc1
InChIInChI=1S/C13H11N5O2.C2H6/c14-6-8-1-3-10(4-2-8)18(16)12-11(15)5-9(7-17-12)13(19)20;1-2/h1-5,7H,15-16H2,(H,19,20);1-2H3
InChIKeyWSKHHAXRQUYSPH-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.27
Rot. Bonds3

About 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane

5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane (PubChem CID 167448618) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane
PubChem CID167448618
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane
SMILESCC.N#Cc1ccc(N(N)c2ncc(C(=O)O)cc2N)cc1
InChIInChI=1S/C13H11N5O2.C2H6/c14-6-8-1-3-10(4-2-8)18(16)12-11(15)5-9(7-17-12)13(19)20;1-2/h1-5,7H,15-16H2,(H,19,20);1-2H3
InChIKeyWSKHHAXRQUYSPH-UHFFFAOYSA-N
XLogP2.27
TPSA129.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane?
The IUPAC name of 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane (CID 167448618) is 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane?
The canonical SMILES for 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane is CC.N#Cc1ccc(N(N)c2ncc(C(=O)O)cc2N)cc1.
What is the InChIKey of 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane?
The InChIKey is WSKHHAXRQUYSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2.C2H6/c14-6-8-1-3-10(4-2-8)18(16)12-11(15)5-9(7-17-12)13(19)20;1-2/h1-5,7H,15-16H2,(H,19,20);1-2H3.
What are the key properties of 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane?
5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane has a molecular weight of 299.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 167448618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).