8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide

C14H14N6O2 — CID 110244658

IUPAC8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide
SMILESCC(C)n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccncc3)nc21
InChIInChI=1S/C14H14N6O2/c1-7(2)20-13-10(18-14(20)22)9(11(15)21)17-12(19-13)8-3-5-16-6-4-8/h3-7H,1-2H3,(H2,15,21)(H,18,22)
InChIKeyQVLSQTMNTWSGCH-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.86
Rot. Bonds3

About 8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide

8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide (PubChem CID 110244658) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide
PubChem CID110244658
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide
SMILESCC(C)n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccncc3)nc21
InChIInChI=1S/C14H14N6O2/c1-7(2)20-13-10(18-14(20)22)9(11(15)21)17-12(19-13)8-3-5-16-6-4-8/h3-7H,1-2H3,(H2,15,21)(H,18,22)
InChIKeyQVLSQTMNTWSGCH-UHFFFAOYSA-N
XLogP0.86
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide 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 8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide?
The IUPAC name of 8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide (CID 110244658) is 8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide.
What is the SMILES notation for 8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide?
The canonical SMILES for 8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide is CC(C)n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccncc3)nc21.
What is the InChIKey of 8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide?
The InChIKey is QVLSQTMNTWSGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-7(2)20-13-10(18-14(20)22)9(11(15)21)17-12(19-13)8-3-5-16-6-4-8/h3-7H,1-2H3,(H2,15,21)(H,18,22).
What are the key properties of 8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide?
8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-9-propan-2-yl-2-pyridin-4-yl-7H-purine-6-carboxamide is sourced from PubChem (CID 110244658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).