N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide

C20H19N3O5 — CID 146626704

IUPACN-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(Nc1cc(O)c2c(OCC3CCOC3)nccc2c1)c1cccc(=O)[nH]1
InChIInChI=1S/C20H19N3O5/c24-16-9-14(22-19(26)15-2-1-3-17(25)23-15)8-13-4-6-21-20(18(13)16)28-11-12-5-7-27-10-12/h1-4,6,8-9,12,24H,5,7,10-11H2,(H,22,26)(H,23,25)
InChIKeyBLLXODMKTIKUPN-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.30
Rot. Bonds5

About N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide

N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 146626704) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID146626704
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(Nc1cc(O)c2c(OCC3CCOC3)nccc2c1)c1cccc(=O)[nH]1
InChIInChI=1S/C20H19N3O5/c24-16-9-14(22-19(26)15-2-1-3-17(25)23-15)8-13-4-6-21-20(18(13)16)28-11-12-5-7-27-10-12/h1-4,6,8-9,12,24H,5,7,10-11H2,(H,22,26)(H,23,25)
InChIKeyBLLXODMKTIKUPN-UHFFFAOYSA-N
XLogP2.30
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-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

Related Compounds

[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid
CID 146586192
5-fluoro-N-[8-fluoro-1-(oxan-4-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
CID 146627147
N-[8-(oxan-4-ylmethoxy)-1,7-naphthyridin-3-yl]pyridine-2-carboxamide
CID 146630003
4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide
CID 153496100
N-[1-(1,4-dioxan-2-ylmethoxy)-8-fluoroisoquinolin-6-yl]pyridine-2-carboxamide
CID 146626670
N-[1-(1,4-dioxan-2-ylmethoxy)-8-fluoroisoquinolin-6-yl]-3-fluoropyridine-2-carboxamide
CID 146626672
3-amino-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626710
3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)-8-fluoroisoquinolin-6-yl]pyridine-2-carboxamide
CID 146626671
1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 125495422
3-(oxolan-3-ylmethoxy)pyrazine-2-carboxylic acid
CID 62703281
3-methyl-4-(oxolan-3-ylmethoxy)-2H-pyrazolo[4,3-c]pyridine
CID 90861702
5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 69244958

Frequently Asked Questions

What is the IUPAC name of N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide (CID 146626704) is N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide is O=C(Nc1cc(O)c2c(OCC3CCOC3)nccc2c1)c1cccc(=O)[nH]1.
What is the InChIKey of N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is BLLXODMKTIKUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c24-16-9-14(22-19(26)15-2-1-3-17(25)23-15)8-13-4-6-21-20(18(13)16)28-11-12-5-7-27-10-12/h1-4,6,8-9,12,24H,5,7,10-11H2,(H,22,26)(H,23,25).
What are the key properties of N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide?
N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-hydroxy-1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 146626704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).