N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide

C21H28N4O3 — CID 90328810

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide
SMILESCN(C)c1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C21H28N4O3/c1-24(2)21-19(8-5-10-22-21)28-15-20(27)23-12-18(26)14-25-11-9-16-6-3-4-7-17(16)13-25/h3-8,10,18,26H,9,11-15H2,1-2H3,(H,23,27)
InChIKeyUTCLUAWCQRNAHB-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.06
Rot. Bonds8

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide (PubChem CID 90328810) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide
PubChem CID90328810
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide
SMILESCN(C)c1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C21H28N4O3/c1-24(2)21-19(8-5-10-22-21)28-15-20(27)23-12-18(26)14-25-11-9-16-6-3-4-7-17(16)13-25/h3-8,10,18,26H,9,11-15H2,1-2H3,(H,23,27)
InChIKeyUTCLUAWCQRNAHB-UHFFFAOYSA-N
XLogP1.06
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide with MolForge

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Related Compounds

U 101958
CID 5615
1-[2-(2-Methylphenoxy)propanoyl]-4-(2-pyridinyl)piperazine
CID 2976964
N-(2-methoxybenzyl)-2-methyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 3847875
4-(4-{2-[(S)-3-(6-Amino-pyridin-3-yloxy)-2-hydroxy-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid octylamide
CID 10209114
7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 54590901
6-((2R,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592009
6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592010
(R)-6-(2,2-dimethyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592011
7-((2R,5R)-2-methyl-5-phenylmorpholino)-1H-pyrido[3,4-b][1,4]oxazin-2(3H)-one
CID 54592088
2-((2R,5R)-4-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl)acetonitrile
CID 54592089
6-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592090
6-[(2R,5R)-5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592092

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide (CID 90328810) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide is CN(C)c1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide?
The InChIKey is UTCLUAWCQRNAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-24(2)21-19(8-5-10-22-21)28-15-20(27)23-12-18(26)14-25-11-9-16-6-3-4-7-17(16)13-25/h3-8,10,18,26H,9,11-15H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide has a molecular weight of 384.48 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[2-(dimethylamino)-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 90328810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).