3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide

C19H17N3O4 — CID 146626663

IUPAC3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(O[C@H]3CCOC3)nccc2c1)c1ncccc1O
InChIInChI=1S/C19H17N3O4/c23-16-2-1-7-20-17(16)18(24)22-13-3-4-15-12(10-13)5-8-21-19(15)26-14-6-9-25-11-14/h1-5,7-8,10,14,23H,6,9,11H2,(H,22,24)/t14-/m0/s1
InChIKeyBQQLFZYQKUEUQM-AWEZNQCLSA-N
MW351.36 g/mol
LogP2.76
Rot. Bonds4

About 3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide

3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide (PubChem CID 146626663) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide
PubChem CID146626663
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(O[C@H]3CCOC3)nccc2c1)c1ncccc1O
InChIInChI=1S/C19H17N3O4/c23-16-2-1-7-20-17(16)18(24)22-13-3-4-15-12(10-13)5-8-21-19(15)26-14-6-9-25-11-14/h1-5,7-8,10,14,23H,6,9,11H2,(H,22,24)/t14-/m0/s1
InChIKeyBQQLFZYQKUEUQM-AWEZNQCLSA-N
XLogP2.76
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide (CID 146626663) is 3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide is O=C(Nc1ccc2c(O[C@H]3CCOC3)nccc2c1)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is BQQLFZYQKUEUQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-16-2-1-7-20-17(16)18(24)22-13-3-4-15-12(10-13)5-8-21-19(15)26-14-6-9-25-11-14/h1-5,7-8,10,14,23H,6,9,11H2,(H,22,24)/t14-/m0/s1.
What are the key properties of 3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide?
3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-[(3S)-oxolan-3-yl]oxyisoquinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146626663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).