N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C17H21N3O — CID 2471521

IUPACN-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESN#CC1(NC(=O)CN2CCc3ccccc3C2)CCCC1
InChIInChI=1S/C17H21N3O/c18-13-17(8-3-4-9-17)19-16(21)12-20-10-7-14-5-1-2-6-15(14)11-20/h1-2,5-6H,3-4,7-12H2,(H,19,21)
InChIKeyIPCLNFWKYNZHED-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.00
Rot. Bonds3

About N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 2471521) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID2471521
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESN#CC1(NC(=O)CN2CCc3ccccc3C2)CCCC1
InChIInChI=1S/C17H21N3O/c18-13-17(8-3-4-9-17)19-16(21)12-20-10-7-14-5-1-2-6-15(14)11-20/h1-2,5-6H,3-4,7-12H2,(H,19,21)
InChIKeyIPCLNFWKYNZHED-UHFFFAOYSA-N
XLogP2.00
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
CID 688344
(2S)-1-(2-{[2-methyl-4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-yl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11581458
(2S)-1-(2-{[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11717090
(2S)-1-[(2S)-2-amino-4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butanoyl]pyrrolidine-2-carbonitrile
CID 23646025
2-[3-[2-[2-Cyano-(S)-pyrrolidin-1-yl]-2-oxoethylamino]-4-methyl-1-oxopentyl]-1,2,3,4-tetrahydroisoquinoline
CID 11494684
(2S)-1-(2-{[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11515912
(2S)-1-(2-{[4-(6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-methyl-4-oxobutan-2-yl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11538673
(2S)-1-(2-{[4-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-methyl-4-oxobutan-2-yl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11545508
(2S)-1-(2-{[3-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-2-yl)-3-oxopropyl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11581247
(2S)-1-(2-{[(2S)-4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-yl]amino}acetyl)pyrrolidine-2-carbonitrile
CID 11617338
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4885140
(3S)-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 7554104

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 2471521) is N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is N#CC1(NC(=O)CN2CCc3ccccc3C2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is IPCLNFWKYNZHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-13-17(8-3-4-9-17)19-16(21)12-20-10-7-14-5-1-2-6-15(14)11-20/h1-2,5-6H,3-4,7-12H2,(H,19,21).
What are the key properties of N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 283.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 2471521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).