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

C20H19FN4O3 — CID 146626665

IUPAC3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc2c(OC3CCOCC3F)nccc2c1
InChIInChI=1S/C20H19FN4O3/c21-15-11-27-9-6-17(15)28-20-14-4-3-13(10-12(14)5-8-24-20)25-19(26)18-16(22)2-1-7-23-18/h1-5,7-8,10,15,17H,6,9,11,22H2,(H,25,26)
InChIKeyBRIOUKVAWDITEB-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.97
Rot. Bonds4

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

3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide (PubChem CID 146626665) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide
PubChem CID146626665
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc2c(OC3CCOCC3F)nccc2c1
InChIInChI=1S/C20H19FN4O3/c21-15-11-27-9-6-17(15)28-20-14-4-3-13(10-12(14)5-8-24-20)25-19(26)18-16(22)2-1-7-23-18/h1-5,7-8,10,15,17H,6,9,11,22H2,(H,25,26)
InChIKeyBRIOUKVAWDITEB-UHFFFAOYSA-N
XLogP2.97
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide (CID 146626665) is 3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ccc2c(OC3CCOCC3F)nccc2c1.
What is the InChIKey of 3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is BRIOUKVAWDITEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-15-11-27-9-6-17(15)28-20-14-4-3-13(10-12(14)5-8-24-20)25-19(26)18-16(22)2-1-7-23-18/h1-5,7-8,10,15,17H,6,9,11,22H2,(H,25,26).
What are the key properties of 3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide?
3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-fluorooxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146626665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).