N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide

C18H19N3O3 — CID 53174951

IUPACN-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCc3ccccc3C2)nc1
InChIInChI=1S/C18H19N3O3/c1-13(22)20-16-6-7-17(19-10-16)24-12-18(23)21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyWAWPSGSMZBIPQK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.00
Rot. Bonds4

About N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide

N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide (PubChem CID 53174951) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide
PubChem CID53174951
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCc3ccccc3C2)nc1
InChIInChI=1S/C18H19N3O3/c1-13(22)20-16-6-7-17(19-10-16)24-12-18(23)21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyWAWPSGSMZBIPQK-UHFFFAOYSA-N
XLogP2.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide (CID 53174951) is N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(OCC(=O)N2CCc3ccccc3C2)nc1.
What is the InChIKey of N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide?
The InChIKey is WAWPSGSMZBIPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(22)20-16-6-7-17(19-10-16)24-12-18(23)21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide?
N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-pyridinyl]acetamide is sourced from PubChem (CID 53174951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).