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

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Related Compounds

9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide
CID 7119031
2-(3,4-difluorophenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 16806755
9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide
CID 16810176
2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide
CID 57474599
9-(2-fluorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide
CID 16822566
9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
CID 7599621
methyl 3-[6-carbamoyl-8-oxo-2-(4-phenylphenyl)-7H-purin-9-yl]benzoate
CID 130339985
2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide
CID 7519811
2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603281
2,9-bis(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422839
methyl 4-[6-carbamoyl-2-(4-ethoxyphenyl)-8-oxo-7H-purin-9-yl]benzoate
CID 130298934
2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603381

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).