5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide

C21H16N4O3 — CID 146630092

IUPAC5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(OCc3cccnc3)nccc2c1)c1ccc(O)cn1
InChIInChI=1S/C21H16N4O3/c26-17-4-6-19(24-12-17)20(27)25-16-3-5-18-15(10-16)7-9-23-21(18)28-13-14-2-1-8-22-11-14/h1-12,26H,13H2,(H,25,27)
InChIKeyGNYVQEWQPGDPGE-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.56
Rot. Bonds5

About 5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide

5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide (PubChem CID 146630092) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
PubChem CID146630092
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(OCc3cccnc3)nccc2c1)c1ccc(O)cn1
InChIInChI=1S/C21H16N4O3/c26-17-4-6-19(24-12-17)20(27)25-16-3-5-18-15(10-16)7-9-23-21(18)28-13-14-2-1-8-22-11-14/h1-12,26H,13H2,(H,25,27)
InChIKeyGNYVQEWQPGDPGE-UHFFFAOYSA-N
XLogP3.56
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine
CID 82572547
ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55672143
N-naphthalen-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 71939692
methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate
CID 55762087
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43069771
5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076094
1-oxo-N-[3-(pyridin-3-ylmethoxy)phenyl]-2H-isoquinoline-4-carboxamide
CID 119044409
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55643516
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 55643410
N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191396
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38627115

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide (CID 146630092) is 5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide is O=C(Nc1ccc2c(OCc3cccnc3)nccc2c1)c1ccc(O)cn1.
What is the InChIKey of 5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is GNYVQEWQPGDPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-17-4-6-19(24-12-17)20(27)25-16-3-5-18-15(10-16)7-9-23-21(18)28-13-14-2-1-8-22-11-14/h1-12,26H,13H2,(H,25,27).
What are the key properties of 5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide?
5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146630092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).