N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide

C22H23N3O3 — CID 146626709

IUPACN-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
SMILESCC1CC(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCO1
InChIInChI=1S/C22H23N3O3/c1-15-12-16(8-11-27-15)14-28-22-19-6-5-18(13-17(19)7-10-24-22)25-21(26)20-4-2-3-9-23-20/h2-7,9-10,13,15-16H,8,11-12,14H2,1H3,(H,25,26)
InChIKeyDUOXJQVICNGLNF-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.08
Rot. Bonds5

About N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide

N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide (PubChem CID 146626709) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
PubChem CID146626709
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
SMILESCC1CC(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCO1
InChIInChI=1S/C22H23N3O3/c1-15-12-16(8-11-27-15)14-28-22-19-6-5-18(13-17(19)7-10-24-22)25-21(26)20-4-2-3-9-23-20/h2-7,9-10,13,15-16H,8,11-12,14H2,1H3,(H,25,26)
InChIKeyDUOXJQVICNGLNF-UHFFFAOYSA-N
XLogP4.08
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide (CID 146626709) is N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide is CC1CC(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCO1.
What is the InChIKey of N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is DUOXJQVICNGLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-12-16(8-11-27-15)14-28-22-19-6-5-18(13-17(19)7-10-24-22)25-21(26)20-4-2-3-9-23-20/h2-7,9-10,13,15-16H,8,11-12,14H2,1H3,(H,25,26).
What are the key properties of N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146626709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).