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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Related Compounds

N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide
CID 166071994
N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 166072086
N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072170
1-(1,1-difluoroethyl)isoquinoline
CID 150195084
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
isoquinolin-1-yl-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 42240610
1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride
CID 173450913
2-[1-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridin-3-ol;hydrochloride
CID 67585183
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
2-[1-(isoquinoline-1-carbonyl)azetidin-3-yl]propanoic acid
CID 116680853
2-isoquinolin-1-yl-2-methylpropan-1-amine
CID 116995215
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502

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).