N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide

C17H17ClN6O — CID 10360939

IUPACN-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide
SMILESNc1ncnc2c1ncn2[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN6O/c18-11-4-1-3-10(7-11)17(25)23-12-5-2-6-13(12)24-9-22-14-15(19)20-8-21-16(14)24/h1,3-4,7-9,12-13H,2,5-6H2,(H,23,25)(H2,19,20,21)/t12-,13-/m1/s1
InChIKeyIEFYLJBVHTZKEA-CHWSQXEVSA-N
MW356.82 g/mol
LogP2.59
Rot. Bonds3

About N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide

N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide (PubChem CID 10360939) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide
PubChem CID10360939
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC NameN-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide
SMILESNc1ncnc2c1ncn2[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN6O/c18-11-4-1-3-10(7-11)17(25)23-12-5-2-6-13(12)24-9-22-14-15(19)20-8-21-16(14)24/h1,3-4,7-9,12-13H,2,5-6H2,(H,23,25)(H2,19,20,21)/t12-,13-/m1/s1
InChIKeyIEFYLJBVHTZKEA-CHWSQXEVSA-N
XLogP2.59
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclohexyl]-3-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110154629
N-[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclohexyl]-3-(6-chloro-1H-benzimidazol-2-yl)propanamide
CID 155989856
(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone
CID 56944373
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-chlorobenzamide
CID 94121435
[2-(6-aminopurin-9-yl)-4-[[(3-chlorophenoxy)-hydroxyphosphoryl]oxymethyl]cyclobutyl]methyl (3-chlorophenyl) hydrogen phosphate
CID 19018837
3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide
CID 95983840
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151564
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
4-(6-aminopurin-9-yl)-N-(3-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 166628711
N-[4-(6-amino-2-chloropurin-9-yl)cyclohexyl]-3-methoxybenzamide
CID 134214822

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide?
The IUPAC name of N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide (CID 10360939) is N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide.
What is the SMILES notation for N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide?
The canonical SMILES for N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide is Nc1ncnc2c1ncn2[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide?
The InChIKey is IEFYLJBVHTZKEA-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H17ClN6O/c18-11-4-1-3-10(7-11)17(25)23-12-5-2-6-13(12)24-9-22-14-15(19)20-8-21-16(14)24/h1,3-4,7-9,12-13H,2,5-6H2,(H,23,25)(H2,19,20,21)/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide?
N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide has a molecular weight of 356.82 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide is sourced from PubChem (CID 10360939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).