N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide

C16H22N4O — CID 31320175

IUPACN-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
SMILESC[C@@H]1c2cccn2CCN1CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C16H22N4O/c1-13-14-5-4-8-19(14)9-10-20(13)11-15(21)18-16(12-17)6-2-3-7-16/h4-5,8,13H,2-3,6-7,9-11H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyLMSJIDOXTNCKKN-CYBMUJFWSA-N
MW286.38 g/mol
LogP1.82
Rot. Bonds3

About N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide

N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide (PubChem CID 31320175) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
PubChem CID31320175
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
SMILESC[C@@H]1c2cccn2CCN1CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C16H22N4O/c1-13-14-5-4-8-19(14)9-10-20(13)11-15(21)18-16(12-17)6-2-3-7-16/h4-5,8,13H,2-3,6-7,9-11H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyLMSJIDOXTNCKKN-CYBMUJFWSA-N
XLogP1.82
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
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CID 51227395
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CID 24506657
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CID 82755298
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CID 94632936
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2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39719201
N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 41084125
N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide (CID 31320175) is N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide is C[C@@H]1c2cccn2CCN1CC(=O)NC1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
The InChIKey is LMSJIDOXTNCKKN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-14-5-4-8-19(14)9-10-20(13)11-15(21)18-16(12-17)6-2-3-7-16/h4-5,8,13H,2-3,6-7,9-11H2,1H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 31320175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).