3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide

C18H17N3O4 — CID 146626646

IUPAC3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
SMILESCOCCOc1nccc2cc(NC(=O)c3ncccc3O)ccc12
InChIInChI=1S/C18H17N3O4/c1-24-9-10-25-18-14-5-4-13(11-12(14)6-8-20-18)21-17(23)16-15(22)3-2-7-19-16/h2-8,11,22H,9-10H2,1H3,(H,21,23)
InChIKeyXLAISRACOHVGEU-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.61
Rot. Bonds6

About 3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide

3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide (PubChem CID 146626646) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
PubChem CID146626646
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
SMILESCOCCOc1nccc2cc(NC(=O)c3ncccc3O)ccc12
InChIInChI=1S/C18H17N3O4/c1-24-9-10-25-18-14-5-4-13(11-12(14)6-8-20-18)21-17(23)16-15(22)3-2-7-19-16/h2-8,11,22H,9-10H2,1H3,(H,21,23)
InChIKeyXLAISRACOHVGEU-UHFFFAOYSA-N
XLogP2.61
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide (CID 146626646) is 3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide is COCCOc1nccc2cc(NC(=O)c3ncccc3O)ccc12.
What is the InChIKey of 3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is XLAISRACOHVGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-9-10-25-18-14-5-4-13(11-12(14)6-8-20-18)21-17(23)16-15(22)3-2-7-19-16/h2-8,11,22H,9-10H2,1H3,(H,21,23).
What are the key properties of 3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(2-methoxyethoxy)isoquinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146626646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).