9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide

C17H17N5O3 — CID 24937986

IUPAC9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C17H17N5O3/c18-14(24)12-13-16(22(17(25)20-13)10-5-1-2-6-10)21-15(19-12)9-4-3-7-11(23)8-9/h3-4,7-8,10,23H,1-2,5-6H2,(H2,18,24)(H,20,25)
InChIKeyOWYNYCCFQVSEKU-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.71
Rot. Bonds3

About 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide

9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 24937986) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID24937986
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C17H17N5O3/c18-14(24)12-13-16(22(17(25)20-13)10-5-1-2-6-10)21-15(19-12)9-4-3-7-11(23)8-9/h3-4,7-8,10,23H,1-2,5-6H2,(H2,18,24)(H,20,25)
InChIKeyOWYNYCCFQVSEKU-UHFFFAOYSA-N
XLogP1.71
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 24937986) is 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C1CCCC1.
What is the InChIKey of 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is OWYNYCCFQVSEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c18-14(24)12-13-16(22(17(25)20-13)10-5-1-2-6-10)21-15(19-12)9-4-3-7-11(23)8-9/h3-4,7-8,10,23H,1-2,5-6H2,(H2,18,24)(H,20,25).
What are the key properties of 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 24937986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).