3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone

C18H21N3O — CID 84570258

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCC(C)Nc1cccc(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C18H21N3O/c1-13(2)19-17-9-5-8-16(20-17)18(22)21-11-10-14-6-3-4-7-15(14)12-21/h3-9,13H,10-12H2,1-2H3,(H,19,20)
InChIKeySDSCPHFACGPEFB-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.10
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone (PubChem CID 84570258) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
PubChem CID84570258
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCC(C)Nc1cccc(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C18H21N3O/c1-13(2)19-17-9-5-8-16(20-17)18(22)21-11-10-14-6-3-4-7-15(14)12-21/h3-9,13H,10-12H2,1-2H3,(H,19,20)
InChIKeySDSCPHFACGPEFB-UHFFFAOYSA-N
XLogP3.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 62248838
3,4-dihydro-1H-isoquinolin-2-yl-[6-(ethylamino)-2-pyridinyl]methanone
CID 62238754
azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone
CID 62232700
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109098513
(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498253
3,4-dihydro-1H-isoquinolin-2-yl-[2-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109304723
(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115497823
N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
CID 109098517
(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498252

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone (CID 84570258) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone is CC(C)Nc1cccc(C(=O)N2CCc3ccccc3C2)n1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The InChIKey is SDSCPHFACGPEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(2)19-17-9-5-8-16(20-17)18(22)21-11-10-14-6-3-4-7-15(14)12-21/h3-9,13H,10-12H2,1-2H3,(H,19,20).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone has a molecular weight of 295.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 84570258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).