3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide

C15H10BrN3O — CID 175717333

IUPAC3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1-c1cncc2c(Br)cccc12
InChIInChI=1S/C15H10BrN3O/c16-13-5-1-3-9-11(7-18-8-12(9)13)10-4-2-6-19-14(10)15(17)20/h1-8H,(H2,17,20)
InChIKeyLSDNIGZNSIEIFG-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.16
Rot. Bonds2

About 3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide

3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide (PubChem CID 175717333) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide
PubChem CID175717333
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1-c1cncc2c(Br)cccc12
InChIInChI=1S/C15H10BrN3O/c16-13-5-1-3-9-11(7-18-8-12(9)13)10-4-2-6-19-14(10)15(17)20/h1-8H,(H2,17,20)
InChIKeyLSDNIGZNSIEIFG-UHFFFAOYSA-N
XLogP3.16
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide (CID 175717333) is 3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide is NC(=O)c1ncccc1-c1cncc2c(Br)cccc12.
What is the InChIKey of 3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide?
The InChIKey is LSDNIGZNSIEIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-13-5-1-3-9-11(7-18-8-12(9)13)10-4-2-6-19-14(10)15(17)20/h1-8H,(H2,17,20).
What are the key properties of 3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide?
3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 175717333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).