5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide

C20H19N3O4 — CID 146626687

IUPAC5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(OCC3CCOC3)nccc2c1)c1ccc(O)cn1
InChIInChI=1S/C20H19N3O4/c24-16-2-4-18(22-10-16)19(25)23-15-1-3-17-14(9-15)5-7-21-20(17)27-12-13-6-8-26-11-13/h1-5,7,9-10,13,24H,6,8,11-12H2,(H,23,25)
InChIKeyZGJQHMDAKYNTTE-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.00
Rot. Bonds5

About 5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide

5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide (PubChem CID 146626687) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
PubChem CID146626687
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(OCC3CCOC3)nccc2c1)c1ccc(O)cn1
InChIInChI=1S/C20H19N3O4/c24-16-2-4-18(22-10-16)19(25)23-15-1-3-17-14(9-15)5-7-21-20(17)27-12-13-6-8-26-11-13/h1-5,7,9-10,13,24H,6,8,11-12H2,(H,23,25)
InChIKeyZGJQHMDAKYNTTE-UHFFFAOYSA-N
XLogP3.00
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide
CID 53252039
US10167279, Example 96
CID 134609477
N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide
CID 137513984
N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide
CID 137514387
N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide
CID 146626651
3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide
CID 146626665
N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide
CID 146626666
3-chloro-5-fluoro-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626669
N-[1-(1,4-dioxan-2-ylmethoxy)-8-fluoroisoquinolin-6-yl]pyridine-2-carboxamide
CID 146626670
N-[1-(1,4-dioxan-2-ylmethoxy)-8-fluoroisoquinolin-6-yl]-3-fluoropyridine-2-carboxamide
CID 146626672
6-chloro-3-fluoro-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626673
N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626676

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide (CID 146626687) is 5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide is O=C(Nc1ccc2c(OCC3CCOC3)nccc2c1)c1ccc(O)cn1.
What is the InChIKey of 5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is ZGJQHMDAKYNTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-16-2-4-18(22-10-16)19(25)23-15-1-3-17-14(9-15)5-7-21-20(17)27-12-13-6-8-26-11-13/h1-5,7,9-10,13,24H,6,8,11-12H2,(H,23,25).
What are the key properties of 5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146626687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).