N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide

C22H23N3O4 — CID 146626649

IUPACN-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide
SMILESCC1(C)CC(Oc2nccc3cc(NC(=O)c4ncccc4O)ccc23)CCO1
InChIInChI=1S/C22H23N3O4/c1-22(2)13-16(8-11-28-22)29-21-17-6-5-15(12-14(17)7-10-24-21)25-20(27)19-18(26)4-3-9-23-19/h3-7,9-10,12,16,26H,8,11,13H2,1-2H3,(H,25,27)
InChIKeyBRECVFYOEFCISV-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.92
Rot. Bonds4

About N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide

N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide (PubChem CID 146626649) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide
PubChem CID146626649
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide
SMILESCC1(C)CC(Oc2nccc3cc(NC(=O)c4ncccc4O)ccc23)CCO1
InChIInChI=1S/C22H23N3O4/c1-22(2)13-16(8-11-28-22)29-21-17-6-5-15(12-14(17)7-10-24-21)25-20(27)19-18(26)4-3-9-23-19/h3-7,9-10,12,16,26H,8,11,13H2,1-2H3,(H,25,27)
InChIKeyBRECVFYOEFCISV-UHFFFAOYSA-N
XLogP3.92
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-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-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide (CID 146626649) is N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide is CC1(C)CC(Oc2nccc3cc(NC(=O)c4ncccc4O)ccc23)CCO1.
What is the InChIKey of N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is BRECVFYOEFCISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-22(2)13-16(8-11-28-22)29-21-17-6-5-15(12-14(17)7-10-24-21)25-20(27)19-18(26)4-3-9-23-19/h3-7,9-10,12,16,26H,8,11,13H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide?
N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethyloxan-4-yl)oxyisoquinolin-6-yl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 146626649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).