N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide

C19H19N3O4 — CID 146626712

IUPACN-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide
SMILESCCOCCOc1nccc2cc(NC(=O)c3ncccc3O)ccc12
InChIInChI=1S/C19H19N3O4/c1-2-25-10-11-26-19-15-6-5-14(12-13(15)7-9-21-19)22-18(24)17-16(23)4-3-8-20-17/h3-9,12,23H,2,10-11H2,1H3,(H,22,24)
InChIKeyVETVNHRNVPGWDK-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.00
Rot. Bonds7

About N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide

N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide (PubChem CID 146626712) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide
PubChem CID146626712
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide
SMILESCCOCCOc1nccc2cc(NC(=O)c3ncccc3O)ccc12
InChIInChI=1S/C19H19N3O4/c1-2-25-10-11-26-19-15-6-5-14(12-13(15)7-9-21-19)22-18(24)17-16(23)4-3-8-20-17/h3-9,12,23H,2,10-11H2,1H3,(H,22,24)
InChIKeyVETVNHRNVPGWDK-UHFFFAOYSA-N
XLogP3.00
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide (CID 146626712) is N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide is CCOCCOc1nccc2cc(NC(=O)c3ncccc3O)ccc12.
What is the InChIKey of N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is VETVNHRNVPGWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-25-10-11-26-19-15-6-5-14(12-13(15)7-9-21-19)22-18(24)17-16(23)4-3-8-20-17/h3-9,12,23H,2,10-11H2,1H3,(H,22,24).
What are the key properties of N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide?
N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyethoxy)isoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 146626712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).