N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C23H27N5O2 — CID 55624852

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCC(CNC(=O)CCc1nc(-c2cccnc2)no1)N1CCc2ccccc2C1
InChIInChI=1S/C23H27N5O2/c1-2-20(28-13-11-17-6-3-4-7-19(17)16-28)15-25-21(29)9-10-22-26-23(27-30-22)18-8-5-12-24-14-18/h3-8,12,14,20H,2,9-11,13,15-16H2,1H3,(H,25,29)
InChIKeyDESPOXVOURHKMP-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.02
Rot. Bonds8

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55624852) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55624852
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCC(CNC(=O)CCc1nc(-c2cccnc2)no1)N1CCc2ccccc2C1
InChIInChI=1S/C23H27N5O2/c1-2-20(28-13-11-17-6-3-4-7-19(17)16-28)15-25-21(29)9-10-22-26-23(27-30-22)18-8-5-12-24-14-18/h3-8,12,14,20H,2,9-11,13,15-16H2,1H3,(H,25,29)
InChIKeyDESPOXVOURHKMP-UHFFFAOYSA-N
XLogP3.02
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-phenylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 42957633
N-(2-methyl-3-piperidin-1-ylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55980926
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55623767
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46471626
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851572
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78868323
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
N-(2-pyridin-2-ylethyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469135
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46493557
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55622608
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47043297

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55624852) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CCC(CNC(=O)CCc1nc(-c2cccnc2)no1)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is DESPOXVOURHKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-20(28-13-11-17-6-3-4-7-19(17)16-28)15-25-21(29)9-10-22-26-23(27-30-22)18-8-5-12-24-14-18/h3-8,12,14,20H,2,9-11,13,15-16H2,1H3,(H,25,29).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55624852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).