1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C15H15N3O2 — CID 168697461

IUPAC1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(Cc2cncc3ccccc23)C1
InChIInChI=1S/C15H15N3O2/c16-15(20)11-5-14(19)18(8-11)9-12-7-17-6-10-3-1-2-4-13(10)12/h1-4,6-7,11H,5,8-9H2,(H2,16,20)
InChIKeyMDAVSLAREOCTNL-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.07
Rot. Bonds3

About 1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide

1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697461) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168697461
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(Cc2cncc3ccccc23)C1
InChIInChI=1S/C15H15N3O2/c16-15(20)11-5-14(19)18(8-11)9-12-7-17-6-10-3-1-2-4-13(10)12/h1-4,6-7,11H,5,8-9H2,(H2,16,20)
InChIKeyMDAVSLAREOCTNL-UHFFFAOYSA-N
XLogP1.07
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-isoquinolin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691402
1-(naphthalen-1-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 146675394
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 168697414
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168697402
1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168696642
1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697391
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697385
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 168697470
1-[[3-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697437
5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide
CID 168697321

Frequently Asked Questions

What is the IUPAC name of 1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 168697461) is 1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(Cc2cncc3ccccc23)C1.
What is the InChIKey of 1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MDAVSLAREOCTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-15(20)11-5-14(19)18(8-11)9-12-7-17-6-10-3-1-2-4-13(10)12/h1-4,6-7,11H,5,8-9H2,(H2,16,20).
What are the key properties of 1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).