(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C18H21N3O — CID 86293694

IUPAC(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cc2ccccc2cn1
InChIInChI=1S/C18H21N3O/c1-18(2,21-17(22)16-13-9-19-10-14(13)16)15-7-11-5-3-4-6-12(11)8-20-15/h3-8,13-14,16,19H,9-10H2,1-2H3,(H,21,22)/t13-,14+,16?
InChIKeyANNRUMBWUCOOHI-MZBDJJRSSA-N
MW295.39 g/mol
LogP2.05
Rot. Bonds3

About (1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86293694) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86293694
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cc2ccccc2cn1
InChIInChI=1S/C18H21N3O/c1-18(2,21-17(22)16-13-9-19-10-14(13)16)15-7-11-5-3-4-6-12(11)8-20-15/h3-8,13-14,16,19H,9-10H2,1-2H3,(H,21,22)/t13-,14+,16?
InChIKeyANNRUMBWUCOOHI-MZBDJJRSSA-N
XLogP2.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide 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-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide
CID 118450420
(1R,5S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86293506
5-[(3S,5R)-1-[2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134237231
(2Z)-N-(pyridin-3-yl)-2-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanamide
CID 1553490
2-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 3247270
4-amino-N-isoquinolin-6-yl-2-phenylbutanamide
CID 46184852
(2S)-1-methyl-N-[[3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-4-isoquinolyl]methyl]pyrrolidine-2-carboxamide
CID 46888760
(2R)-1-methyl-N-[[3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-4-isoquinolyl]methyl]pyrrolidine-2-carboxamide
CID 46888761
N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide
CID 46944010
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 49781929
4-Phenyl-1-(8-piperazin-1-ylquinolin-3-yl)pyrrolidin-2-one
CID 86302554
4-Phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one
CID 90656163

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86293694) is (1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cc2ccccc2cn1.
What is the InChIKey of (1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is ANNRUMBWUCOOHI-MZBDJJRSSA-N. The full InChI is InChI=1S/C18H21N3O/c1-18(2,21-17(22)16-13-9-19-10-14(13)16)15-7-11-5-3-4-6-12(11)8-20-15/h3-8,13-14,16,19H,9-10H2,1-2H3,(H,21,22)/t13-,14+,16?.
What are the key properties of (1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86293694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).