2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide

C17H17N5O2 — CID 141142782

IUPAC2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide
SMILESNC(=O)c1ccccc1-c1nc(OC2CCCC2)nc2nc[nH]c12
InChIInChI=1S/C17H17N5O2/c18-15(23)12-8-4-3-7-11(12)13-14-16(20-9-19-14)22-17(21-13)24-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,18,23)(H,19,20,21,22)
InChIKeyKOBLQCDJFIGGQU-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.44
Rot. Bonds4

About 2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide

2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide (PubChem CID 141142782) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide.

Molecular Properties

Compound Name2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide
PubChem CID141142782
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide
SMILESNC(=O)c1ccccc1-c1nc(OC2CCCC2)nc2nc[nH]c12
InChIInChI=1S/C17H17N5O2/c18-15(23)12-8-4-3-7-11(12)13-14-16(20-9-19-14)22-17(21-13)24-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,18,23)(H,19,20,21,22)
InChIKeyKOBLQCDJFIGGQU-UHFFFAOYSA-N
XLogP2.44
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopropyloxy-2-pyridinyl)benzamide
CID 90303210
carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine
CID 89483150
3-amino-2-cyclopentyloxybenzamide
CID 112579558
2-cyclopentyloxypyridine-3-carbothioamide
CID 24707361
6-cyclopentyloxy-2-phenylpyrimidine-4-carboxamide
CID 141154574
2-(1H-imidazo[4,5-b]pyridin-2-yl)benzamide
CID 69046529
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate
CID 140977622
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
CID 67693091
6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine
CID 70732467
6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
CID 115669383
2-cyclopentyloxypyrimidine-5-carboxylic acid
CID 25116525

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide?
The IUPAC name of 2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide (CID 141142782) is 2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide.
What is the SMILES notation for 2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide?
The canonical SMILES for 2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide is NC(=O)c1ccccc1-c1nc(OC2CCCC2)nc2nc[nH]c12.
What is the InChIKey of 2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide?
The InChIKey is KOBLQCDJFIGGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c18-15(23)12-8-4-3-7-11(12)13-14-16(20-9-19-14)22-17(21-13)24-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,18,23)(H,19,20,21,22).
What are the key properties of 2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide?
2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide has a molecular weight of 323.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxy-7H-purin-6-yl)benzamide is sourced from PubChem (CID 141142782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).