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

C20H18FN3O3 — CID 146626666

IUPACN-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(OC3CCOCC3F)nccc2c1)c1ccccn1
InChIInChI=1S/C20H18FN3O3/c21-16-12-26-10-7-18(16)27-20-15-5-4-14(11-13(15)6-9-23-20)24-19(25)17-3-1-2-8-22-17/h1-6,8-9,11,16,18H,7,10,12H2,(H,24,25)
InChIKeyZPQGPDXOSGECMW-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.39
Rot. Bonds4

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

N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide (PubChem CID 146626666) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide
PubChem CID146626666
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(OC3CCOCC3F)nccc2c1)c1ccccn1
InChIInChI=1S/C20H18FN3O3/c21-16-12-26-10-7-18(16)27-20-15-5-4-14(11-13(15)6-9-23-20)24-19(25)17-3-1-2-8-22-17/h1-6,8-9,11,16,18H,7,10,12H2,(H,24,25)
InChIKeyZPQGPDXOSGECMW-UHFFFAOYSA-N
XLogP3.39
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide (CID 146626666) is N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide is O=C(Nc1ccc2c(OC3CCOCC3F)nccc2c1)c1ccccn1.
What is the InChIKey of N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is ZPQGPDXOSGECMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-16-12-26-10-7-18(16)27-20-15-5-4-14(11-13(15)6-9-23-20)24-19(25)17-3-1-2-8-22-17/h1-6,8-9,11,16,18H,7,10,12H2,(H,24,25).
What are the key properties of N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide?
N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146626666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).