6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide

C16H17N3O2 — CID 59730393

IUPAC6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide
SMILESCN1CCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1
InChIInChI=1S/C16H17N3O2/c1-19-7-6-11-8-14(4-2-13(11)10-19)21-15-5-3-12(9-18-15)16(17)20/h2-5,8-9H,6-7,10H2,1H3,(H2,17,20)
InChIKeyLQKCLLDJAWZXOT-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.96
Rot. Bonds3

About 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide

6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide (PubChem CID 59730393) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide
PubChem CID59730393
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide
SMILESCN1CCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1
InChIInChI=1S/C16H17N3O2/c1-19-7-6-11-8-14(4-2-13(11)10-19)21-15-5-3-12(9-18-15)16(17)20/h2-5,8-9H,6-7,10H2,1H3,(H2,17,20)
InChIKeyLQKCLLDJAWZXOT-UHFFFAOYSA-N
XLogP1.96
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide (CID 59730393) is 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide is CN1CCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1.
What is the InChIKey of 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide?
The InChIKey is LQKCLLDJAWZXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19-7-6-11-8-14(4-2-13(11)10-19)21-15-5-3-12(9-18-15)16(17)20/h2-5,8-9H,6-7,10H2,1H3,(H2,17,20).
What are the key properties of 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide?
6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide is sourced from PubChem (CID 59730393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).