4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide

C11H8N6O2 — CID 137186641

IUPAC4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2nc3nc[nH]c3c(=O)[nH]2)ccn1
InChIInChI=1S/C11H8N6O2/c12-8(18)6-3-5(1-2-13-6)9-16-10-7(11(19)17-9)14-4-15-10/h1-4H,(H2,12,18)(H2,14,15,16,17,19)
InChIKeyLHILIDOAVVGJDZ-UHFFFAOYSA-N
MW256.23 g/mol
LogP-0.19
Rot. Bonds2

About 4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide

4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide (PubChem CID 137186641) has the molecular formula C11H8N6O2 and a molecular weight of 256.23 g/mol. Its IUPAC name is 4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide
PubChem CID137186641
Molecular FormulaC11H8N6O2
Molecular Weight256.23 g/mol
Exact Mass256.07
IUPAC Name4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2nc3nc[nH]c3c(=O)[nH]2)ccn1
InChIInChI=1S/C11H8N6O2/c12-8(18)6-3-5(1-2-13-6)9-16-10-7(11(19)17-9)14-4-15-10/h1-4H,(H2,12,18)(H2,14,15,16,17,19)
InChIKeyLHILIDOAVVGJDZ-UHFFFAOYSA-N
XLogP-0.19
TPSA130.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide (CID 137186641) is 4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide is NC(=O)c1cc(-c2nc3nc[nH]c3c(=O)[nH]2)ccn1.
What is the InChIKey of 4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide?
The InChIKey is LHILIDOAVVGJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O2/c12-8(18)6-3-5(1-2-13-6)9-16-10-7(11(19)17-9)14-4-15-10/h1-4H,(H2,12,18)(H2,14,15,16,17,19).
What are the key properties of 4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide?
4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide has a molecular weight of 256.23 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 137186641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).