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

C16H17N3O — CID 22605927

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide
SMILESCC(=O)Nc1ccnc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C16H17N3O/c1-12(20)18-15-6-8-17-16(10-15)19-9-7-13-4-2-3-5-14(13)11-19/h2-6,8,10H,7,9,11H2,1H3,(H,17,18,20)
InChIKeyJHKKCDOQENTIHK-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.60
Rot. Bonds2

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

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide (PubChem CID 22605927) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide
PubChem CID22605927
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide
SMILESCC(=O)Nc1ccnc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C16H17N3O/c1-12(20)18-15-6-8-17-16(10-15)19-9-7-13-4-2-3-5-14(13)11-19/h2-6,8,10H,7,9,11H2,1H3,(H,17,18,20)
InChIKeyJHKKCDOQENTIHK-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide (CID 22605927) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide is CC(=O)Nc1ccnc(N2CCc3ccccc3C2)c1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide?
The InChIKey is JHKKCDOQENTIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12(20)18-15-6-8-17-16(10-15)19-9-7-13-4-2-3-5-14(13)11-19/h2-6,8,10H,7,9,11H2,1H3,(H,17,18,20).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide is sourced from PubChem (CID 22605927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).