N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C22H25N3O — CID 11617195

IUPACN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCC1C2CNCC21)N1CCc2ccccc2C1c1ccccc1
InChIInChI=1S/C22H25N3O/c26-22(24-14-20-18-12-23-13-19(18)20)25-11-10-15-6-4-5-9-17(15)21(25)16-7-2-1-3-8-16/h1-9,18-21,23H,10-14H2,(H,24,26)
InChIKeyUOFUCLPWNMKFID-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.81
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 11617195) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID11617195
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCC1C2CNCC21)N1CCc2ccccc2C1c1ccccc1
InChIInChI=1S/C22H25N3O/c26-22(24-14-20-18-12-23-13-19(18)20)25-11-10-15-6-4-5-9-17(15)21(25)16-7-2-1-3-8-16/h1-9,18-21,23H,10-14H2,(H,24,26)
InChIKeyUOFUCLPWNMKFID-UHFFFAOYSA-N
XLogP2.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

(1S)-1-phenyl-N-(thietan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 166255511
(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 135391620
(1S)-1-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 155397523
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 168865360
(1S)-N-(2-chlorophenyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 135391656
(1S)-1-(4-fluorophenyl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 155397299
N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121225936
1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;1-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 164972542
tert-butyl 3-[[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]methyl]azetidine-1-carboxylate
CID 175596649
N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110400562
(1S)-N-[(3R)-azepan-3-yl]-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 155397450

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 11617195) is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NCC1C2CNCC21)N1CCc2ccccc2C1c1ccccc1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is UOFUCLPWNMKFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22(24-14-20-18-12-23-13-19(18)20)25-11-10-15-6-4-5-9-17(15)21(25)16-7-2-1-3-8-16/h1-9,18-21,23H,10-14H2,(H,24,26).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 11617195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).