N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide

C15H18N6O3 — CID 86913522

IUPACN-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
SMILESCn1cnc2c1c(=O)n(CC(=O)NC1(C#N)CCCC1)c(=O)n2C
InChIInChI=1S/C15H18N6O3/c1-19-9-17-12-11(19)13(23)21(14(24)20(12)2)7-10(22)18-15(8-16)5-3-4-6-15/h9H,3-7H2,1-2H3,(H,18,22)
InChIKeyFOQPQWLRHQXORI-UHFFFAOYSA-N
MW330.35 g/mol
LogP-0.61
Rot. Bonds3

About N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide

N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide (PubChem CID 86913522) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
PubChem CID86913522
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC NameN-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
SMILESCn1cnc2c1c(=O)n(CC(=O)NC1(C#N)CCCC1)c(=O)n2C
InChIInChI=1S/C15H18N6O3/c1-19-9-17-12-11(19)13(23)21(14(24)20(12)2)7-10(22)18-15(8-16)5-3-4-6-15/h9H,3-7H2,1-2H3,(H,18,22)
InChIKeyFOQPQWLRHQXORI-UHFFFAOYSA-N
XLogP-0.61
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 119564945
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 47096637
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 26696316
N-(1-cyanocyclohexyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 17445489
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 167977296
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 18161005
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444940
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 51153692
N-(3-aminobutyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide;hydrochloride
CID 119494937
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 166409852
N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 99780315
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
CID 55660023

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide (CID 86913522) is N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide is Cn1cnc2c1c(=O)n(CC(=O)NC1(C#N)CCCC1)c(=O)n2C.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
The InChIKey is FOQPQWLRHQXORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-19-9-17-12-11(19)13(23)21(14(24)20(12)2)7-10(22)18-15(8-16)5-3-4-6-15/h9H,3-7H2,1-2H3,(H,18,22).
What are the key properties of N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide has a molecular weight of 330.35 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide is sourced from PubChem (CID 86913522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).