N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide

C19H25N3O — CID 166071994

IUPACN-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)(NC(=O)CCN1CCCC1)c1nccc2ccccc12
InChIInChI=1S/C19H25N3O/c1-19(2,21-17(23)10-14-22-12-5-6-13-22)18-16-8-4-3-7-15(16)9-11-20-18/h3-4,7-9,11H,5-6,10,12-14H2,1-2H3,(H,21,23)
InChIKeyKLVSGPPATKACST-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.07
Rot. Bonds5

About N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide

N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 166071994) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide
PubChem CID166071994
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)(NC(=O)CCN1CCCC1)c1nccc2ccccc12
InChIInChI=1S/C19H25N3O/c1-19(2,21-17(23)10-14-22-12-5-6-13-22)18-16-8-4-3-7-15(16)9-11-20-18/h3-4,7-9,11H,5-6,10,12-14H2,1-2H3,(H,21,23)
InChIKeyKLVSGPPATKACST-UHFFFAOYSA-N
XLogP3.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide (CID 166071994) is N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide is CC(C)(NC(=O)CCN1CCCC1)c1nccc2ccccc12.
What is the InChIKey of N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is KLVSGPPATKACST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-19(2,21-17(23)10-14-22-12-5-6-13-22)18-16-8-4-3-7-15(16)9-11-20-18/h3-4,7-9,11H,5-6,10,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide?
N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 166071994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).