N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide

C18H23N3O — CID 166072086

IUPACN-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide
SMILESCC(C)(NC(=O)C[C@@H]1CCCN1)c1nccc2ccccc12
InChIInChI=1S/C18H23N3O/c1-18(2,21-16(22)12-14-7-5-10-19-14)17-15-8-4-3-6-13(15)9-11-20-17/h3-4,6,8-9,11,14,19H,5,7,10,12H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyAWDHBSHQNFKWOH-AWEZNQCLSA-N
MW297.40 g/mol
LogP2.73
Rot. Bonds4

About N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide

N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide (PubChem CID 166072086) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide
PubChem CID166072086
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide
SMILESCC(C)(NC(=O)C[C@@H]1CCCN1)c1nccc2ccccc12
InChIInChI=1S/C18H23N3O/c1-18(2,21-16(22)12-14-7-5-10-19-14)17-15-8-4-3-6-13(15)9-11-20-17/h3-4,6,8-9,11,14,19H,5,7,10,12H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyAWDHBSHQNFKWOH-AWEZNQCLSA-N
XLogP2.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide?
The IUPAC name of N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide (CID 166072086) is N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide?
The canonical SMILES for N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide is CC(C)(NC(=O)C[C@@H]1CCCN1)c1nccc2ccccc12.
What is the InChIKey of N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide?
The InChIKey is AWDHBSHQNFKWOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O/c1-18(2,21-16(22)12-14-7-5-10-19-14)17-15-8-4-3-6-13(15)9-11-20-17/h3-4,6,8-9,11,14,19H,5,7,10,12H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide?
N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166072086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).