5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide

C15H15N3O2 — CID 68502003

IUPAC5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2c[nH]c(=O)c3c2CCCC3)c1
InChIInChI=1S/C15H15N3O2/c16-14(19)10-5-9(6-17-7-10)13-8-18-15(20)12-4-2-1-3-11(12)13/h5-8H,1-4H2,(H2,16,19)(H,18,20)
InChIKeyLQUAIWZQRRMDEY-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.41
Rot. Bonds2

About 5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide

5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide (PubChem CID 68502003) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide
PubChem CID68502003
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2c[nH]c(=O)c3c2CCCC3)c1
InChIInChI=1S/C15H15N3O2/c16-14(19)10-5-9(6-17-7-10)13-8-18-15(20)12-4-2-1-3-11(12)13/h5-8H,1-4H2,(H2,16,19)(H,18,20)
InChIKeyLQUAIWZQRRMDEY-UHFFFAOYSA-N
XLogP1.41
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide (CID 68502003) is 5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide is NC(=O)c1cncc(-c2c[nH]c(=O)c3c2CCCC3)c1.
What is the InChIKey of 5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide?
The InChIKey is LQUAIWZQRRMDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-14(19)10-5-9(6-17-7-10)13-8-18-15(20)12-4-2-1-3-11(12)13/h5-8H,1-4H2,(H2,16,19)(H,18,20).
What are the key properties of 5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide?
5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 68502003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).