(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C17H19N3O — CID 61178129

IUPAC(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NCCc1cccnc1)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H19N3O/c21-17(19-9-7-13-4-3-8-18-11-13)16-10-14-5-1-2-6-15(14)12-20-16/h1-6,8,11,16,20H,7,9-10,12H2,(H,19,21)/t16-/m1/s1
InChIKeyFVJDGLZHBPRWIR-MRXNPFEDSA-N
MW281.36 g/mol
LogP1.45
Rot. Bonds4

About (3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 61178129) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID61178129
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NCCc1cccnc1)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H19N3O/c21-17(19-9-7-13-4-3-8-18-11-13)16-10-14-5-1-2-6-15(14)12-20-16/h1-6,8,11,16,20H,7,9-10,12H2,(H,19,21)/t16-/m1/s1
InChIKeyFVJDGLZHBPRWIR-MRXNPFEDSA-N
XLogP1.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-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

(3R)-N-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178668
N-[2-(1H-imidazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 23378535
(3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28529670
N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47153707
N-[2-(4-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119301696
N-(3-amino-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43553630
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 55174369
(3S)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 95034741
N-(2-cyclopropylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119039078
N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119842127
pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549767

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 61178129) is (3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(NCCc1cccnc1)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is FVJDGLZHBPRWIR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(19-9-7-13-4-3-8-18-11-13)16-10-14-5-1-2-6-15(14)12-20-16/h1-6,8,11,16,20H,7,9-10,12H2,(H,19,21)/t16-/m1/s1.
What are the key properties of (3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 61178129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).