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

C19H27N3O — CID 15982873

IUPACN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCCCN1Cc2ccccc2CC1C(=O)NCC1C2CNCC21
InChIInChI=1S/C19H27N3O/c1-2-7-22-12-14-6-4-3-5-13(14)8-18(22)19(23)21-11-17-15-9-20-10-16(15)17/h3-6,15-18,20H,2,7-12H2,1H3,(H,21,23)
InChIKeyXBVFOCGDJZLUFH-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.40
Rot. Bonds5

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

N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 15982873) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID15982873
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCCCN1Cc2ccccc2CC1C(=O)NCC1C2CNCC21
InChIInChI=1S/C19H27N3O/c1-2-7-22-12-14-6-4-3-5-13(14)8-18(22)19(23)21-11-17-15-9-20-10-16(15)17/h3-6,15-18,20H,2,7-12H2,1H3,(H,21,23)
InChIKeyXBVFOCGDJZLUFH-UHFFFAOYSA-N
XLogP1.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3S)-2-ethyl-N-[(1-propylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95137435
2-butyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 21224019
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 131902391
2-[2-(butylamino)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55738492
(3R)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 7446755
(3R)-2-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 124750580
(3S)-2-(2-aminoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104896002
(3S)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895835
(3R)-2-(ethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61188864
(3S)-2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895842
(3S)-2-(3-hydroxybutyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895944
2-(3-ethylsulfonylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 65098403

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 15982873) is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is CCCN1Cc2ccccc2CC1C(=O)NCC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is XBVFOCGDJZLUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-2-7-22-12-14-6-4-3-5-13(14)8-18(22)19(23)21-11-17-15-9-20-10-16(15)17/h3-6,15-18,20H,2,7-12H2,1H3,(H,21,23).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 15982873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).