(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C15H15N3O — CID 81319420

IUPAC(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNc1ccc(C(=O)N2CCc3ccccc3C2)nc1
InChIInChI=1S/C15H15N3O/c16-13-5-6-14(17-9-13)15(19)18-8-7-11-3-1-2-4-12(11)10-18/h1-6,9H,7-8,10,16H2
InChIKeyNCPXBLQEYNSXKW-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.86
Rot. Bonds1

About (5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 81319420) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID81319420
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNc1ccc(C(=O)N2CCc3ccccc3C2)nc1
InChIInChI=1S/C15H15N3O/c16-13-5-6-14(17-9-13)15(19)18-8-7-11-3-1-2-4-12(11)10-18/h1-6,9H,7-8,10,16H2
InChIKeyNCPXBLQEYNSXKW-UHFFFAOYSA-N
XLogP1.86
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639927
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
[5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109191980
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone
CID 109274481
3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 62248838
(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109284050
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
CID 110852369
1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 113436314
[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109192017
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
CID 42443203
(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 81310359

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 81319420) is (5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is Nc1ccc(C(=O)N2CCc3ccccc3C2)nc1.
What is the InChIKey of (5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is NCPXBLQEYNSXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-13-5-6-14(17-9-13)15(19)18-8-7-11-3-1-2-4-12(11)10-18/h1-6,9H,7-8,10,16H2.
What are the key properties of (5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 253.31 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 81319420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).