N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide

C20H18FN3O3 — CID 146626676

IUPACN-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(OCC3CCOC3)ncc(F)c2c1)c1ccccn1
InChIInChI=1S/C20H18FN3O3/c21-17-10-23-20(27-12-13-6-8-26-11-13)15-5-4-14(9-16(15)17)24-19(25)18-3-1-2-7-22-18/h1-5,7,9-10,13H,6,8,11-12H2,(H,24,25)
InChIKeyOHCLIELJJRXCHJ-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.44
Rot. Bonds5

About N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide

N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide (PubChem CID 146626676) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
PubChem CID146626676
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(OCC3CCOC3)ncc(F)c2c1)c1ccccn1
InChIInChI=1S/C20H18FN3O3/c21-17-10-23-20(27-12-13-6-8-26-11-13)15-5-4-14(9-16(15)17)24-19(25)18-3-1-2-7-22-18/h1-5,7,9-10,13H,6,8,11-12H2,(H,24,25)
InChIKeyOHCLIELJJRXCHJ-UHFFFAOYSA-N
XLogP3.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide (CID 146626676) is N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide is O=C(Nc1ccc2c(OCC3CCOC3)ncc(F)c2c1)c1ccccn1.
What is the InChIKey of N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is OHCLIELJJRXCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-17-10-23-20(27-12-13-6-8-26-11-13)15-5-4-14(9-16(15)17)24-19(25)18-3-1-2-7-22-18/h1-5,7,9-10,13H,6,8,11-12H2,(H,24,25).
What are the key properties of N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146626676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).