2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone

C16H17N3O — CID 116549873

IUPAC2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
SMILESNc1ncccc1CC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C16H17N3O/c17-16-12(6-3-7-18-16)9-15(20)14-8-11-4-1-2-5-13(11)10-19-14/h1-7,14,19H,8-10H2,(H2,17,18)
InChIKeyKUCXNJFJMIZMJK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone

2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone (PubChem CID 116549873) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
PubChem CID116549873
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
SMILESNc1ncccc1CC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C16H17N3O/c17-16-12(6-3-7-18-16)9-15(20)14-8-11-4-1-2-5-13(11)10-19-14/h1-7,14,19H,8-10H2,(H2,17,18)
InChIKeyKUCXNJFJMIZMJK-UHFFFAOYSA-N
XLogP1.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549733
2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549786
2-(3,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549674
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)but-3-yn-1-one
CID 116549661
2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 114350345
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)but-3-en-1-one
CID 116549670
(2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 63933032
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)pent-4-en-1-one
CID 116549717
2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone
CID 116550378
N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103094263

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone?
The IUPAC name of 2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone (CID 116549873) is 2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone is Nc1ncccc1CC(=O)C1Cc2ccccc2CN1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone?
The InChIKey is KUCXNJFJMIZMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-16-12(6-3-7-18-16)9-15(20)14-8-11-4-1-2-5-13(11)10-19-14/h1-7,14,19H,8-10H2,(H2,17,18).
What are the key properties of 2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone?
2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone has a molecular weight of 267.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone is sourced from PubChem (CID 116549873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).