6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide

C23H23N3O2 — CID 24754997

IUPAC6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1
InChIInChI=1S/C23H23N3O2/c24-23(27)19-7-10-22(25-15-19)28-21-8-5-17(6-9-21)11-13-26-14-12-18-3-1-2-4-20(18)16-26/h1-10,15H,11-14,16H2,(H2,24,27)
InChIKeyRAFLIAKPWNTXKX-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.57
Rot. Bonds6

About 6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide

6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 24754997) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID24754997
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1
InChIInChI=1S/C23H23N3O2/c24-23(27)19-7-10-22(25-15-19)28-21-8-5-17(6-9-21)11-13-26-14-12-18-3-1-2-4-20(18)16-26/h1-10,15H,11-14,16H2,(H2,24,27)
InChIKeyRAFLIAKPWNTXKX-UHFFFAOYSA-N
XLogP3.57
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide (CID 24754997) is 6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1.
What is the InChIKey of 6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is RAFLIAKPWNTXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-23(27)19-7-10-22(25-15-19)28-21-8-5-17(6-9-21)11-13-26-14-12-18-3-1-2-4-20(18)16-26/h1-10,15H,11-14,16H2,(H2,24,27).
What are the key properties of 6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide?
6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 24754997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).