5-aminopyridine-3-carboxamide;7H-purin-6-amine

C11H12N8O — CID 22262480

IUPAC5-aminopyridine-3-carboxamide;7H-purin-6-amine
SMILESNC(=O)c1cncc(N)c1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N3O.C5H5N5/c7-5-1-4(6(8)10)2-9-3-5;6-4-3-5(9-1-7-3)10-2-8-4/h1-3H,7H2,(H2,8,10);1-2H,(H3,6,7,8,9,10)
InChIKeyQEPVBFQULFLPBF-UHFFFAOYSA-N
MW272.27 g/mol
LogP-0.30
Rot. Bonds1

About 5-aminopyridine-3-carboxamide;7H-purin-6-amine

5-aminopyridine-3-carboxamide;7H-purin-6-amine (PubChem CID 22262480) has the molecular formula C11H12N8O and a molecular weight of 272.27 g/mol. Its IUPAC name is 5-aminopyridine-3-carboxamide;7H-purin-6-amine.

Molecular Properties

Compound Name5-aminopyridine-3-carboxamide;7H-purin-6-amine
PubChem CID22262480
Molecular FormulaC11H12N8O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name5-aminopyridine-3-carboxamide;7H-purin-6-amine
SMILESNC(=O)c1cncc(N)c1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N3O.C5H5N5/c7-5-1-4(6(8)10)2-9-3-5;6-4-3-5(9-1-7-3)10-2-8-4/h1-3H,7H2,(H2,8,10);1-2H,(H3,6,7,8,9,10)
InChIKeyQEPVBFQULFLPBF-UHFFFAOYSA-N
XLogP-0.30
TPSA162.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-3-carboxamide;7H-purin-6-amine?
The IUPAC name of 5-aminopyridine-3-carboxamide;7H-purin-6-amine (CID 22262480) is 5-aminopyridine-3-carboxamide;7H-purin-6-amine.
What is the SMILES notation for 5-aminopyridine-3-carboxamide;7H-purin-6-amine?
The canonical SMILES for 5-aminopyridine-3-carboxamide;7H-purin-6-amine is NC(=O)c1cncc(N)c1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of 5-aminopyridine-3-carboxamide;7H-purin-6-amine?
The InChIKey is QEPVBFQULFLPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O.C5H5N5/c7-5-1-4(6(8)10)2-9-3-5;6-4-3-5(9-1-7-3)10-2-8-4/h1-3H,7H2,(H2,8,10);1-2H,(H3,6,7,8,9,10).
What are the key properties of 5-aminopyridine-3-carboxamide;7H-purin-6-amine?
5-aminopyridine-3-carboxamide;7H-purin-6-amine has a molecular weight of 272.27 g/mol, XLogP of -0.30, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyridine-3-carboxamide;7H-purin-6-amine is sourced from PubChem (CID 22262480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).