N-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide

C20H27N3O — CID 166772582

IUPACN-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide
SMILESCC(C(=O)NC(C)(C)c1nccc2ccccc12)C1CCCN1C
InChIInChI=1S/C20H27N3O/c1-14(17-10-7-13-23(17)4)19(24)22-20(2,3)18-16-9-6-5-8-15(16)11-12-21-18/h5-6,8-9,11-12,14,17H,7,10,13H2,1-4H3,(H,22,24)
InChIKeyAMGJHNAVOQPCRX-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.32
Rot. Bonds4

About N-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide

N-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide (PubChem CID 166772582) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide
PubChem CID166772582
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide
SMILESCC(C(=O)NC(C)(C)c1nccc2ccccc12)C1CCCN1C
InChIInChI=1S/C20H27N3O/c1-14(17-10-7-13-23(17)4)19(24)22-20(2,3)18-16-9-6-5-8-15(16)11-12-21-18/h5-6,8-9,11-12,14,17H,7,10,13H2,1-4H3,(H,22,24)
InChIKeyAMGJHNAVOQPCRX-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.32
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)-2-(1-methylpyrrolidin-2-yl)propanamide?
The IUPAC name of N-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide (CID 166772582) is N-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide.
What is the SMILES notation for N-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide?
The canonical SMILES for N-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide is CC(C(=O)NC(C)(C)c1nccc2ccccc12)C1CCCN1C.
What is the InChIKey of N-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide?
The InChIKey is AMGJHNAVOQPCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14(17-10-7-13-23(17)4)19(24)22-20(2,3)18-16-9-6-5-8-15(16)11-12-21-18/h5-6,8-9,11-12,14,17H,7,10,13H2,1-4H3,(H,22,24).
What are the key properties of N-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide?
N-(2-isoquinolin-1-ylpropan-2-yl)-2-(1-methylpyrrolidin-2-yl)propanamide has a molecular weight of 325.46 g/mol, XLogP of 3.32, 4 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)-2-(1-methylpyrrolidin-2-yl)propanamide is sourced from PubChem (CID 166772582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).