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N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide

C20H18FN3O4 — CID 146626651

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(OC3CCOCC3F)nccc2c1)c1ncccc1O
InChIInChI=1S/C20H18FN3O4/c21-15-11-27-9-6-17(15)28-20-14-4-3-13(10-12(14)5-8-23-20)24-19(26)18-16(25)2-1-7-22-18/h1-5,7-8,10,15,17,25H,6,9,11H2,(H,24,26)
InChIKeyPESCTRQXHLJJRL-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.09
Rot. Bonds4

About N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide

N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide (PubChem CID 146626651) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide
PubChem CID146626651
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC NameN-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(OC3CCOCC3F)nccc2c1)c1ncccc1O
InChIInChI=1S/C20H18FN3O4/c21-15-11-27-9-6-17(15)28-20-14-4-3-13(10-12(14)5-8-23-20)24-19(26)18-16(25)2-1-7-22-18/h1-5,7-8,10,15,17,25H,6,9,11H2,(H,24,26)
InChIKeyPESCTRQXHLJJRL-UHFFFAOYSA-N
XLogP3.09
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide (CID 146626651) is N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide is O=C(Nc1ccc2c(OC3CCOCC3F)nccc2c1)c1ncccc1O.
What is the InChIKey of N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is PESCTRQXHLJJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c21-15-11-27-9-6-17(15)28-20-14-4-3-13(10-12(14)5-8-23-20)24-19(26)18-16(25)2-1-7-22-18/h1-5,7-8,10,15,17,25H,6,9,11H2,(H,24,26).
What are the key properties of N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide?
N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 146626651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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