N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C17H23N3O2 — CID 108876913

IUPACN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(C)N1CC(NC(=O)N2CCc3ccccc3C2)CC1=O
InChIInChI=1S/C17H23N3O2/c1-12(2)20-11-15(9-16(20)21)18-17(22)19-8-7-13-5-3-4-6-14(13)10-19/h3-6,12,15H,7-11H2,1-2H3,(H,18,22)
InChIKeyJUYSYTYGRSJAIA-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.76
Rot. Bonds2

About N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 108876913) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID108876913
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(C)N1CC(NC(=O)N2CCc3ccccc3C2)CC1=O
InChIInChI=1S/C17H23N3O2/c1-12(2)20-11-15(9-16(20)21)18-17(22)19-8-7-13-5-3-4-6-14(13)10-19/h3-6,12,15H,7-11H2,1-2H3,(H,18,22)
InChIKeyJUYSYTYGRSJAIA-UHFFFAOYSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 7209012
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16808956
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)piperidine-1-carboxamide
CID 122564760
N-[(3R)-1-(ethylcarbamoyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97099923
N-(5-methylhexan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 78833930
2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 110736656
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 138717990
2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736726
4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
CID 108875871
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876896
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 9400843

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 108876913) is N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC(C)N1CC(NC(=O)N2CCc3ccccc3C2)CC1=O.
What is the InChIKey of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is JUYSYTYGRSJAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)20-11-15(9-16(20)21)18-17(22)19-8-7-13-5-3-4-6-14(13)10-19/h3-6,12,15H,7-11H2,1-2H3,(H,18,22).
What are the key properties of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 108876913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).