5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C12H10BrN3O — CID 2059925

IUPAC5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(Br)c1
InChIInChI=1S/C12H10BrN3O/c13-10-5-9(6-14-7-10)12(17)16-8-11-3-1-2-4-15-11/h1-7H,8H2,(H,16,17)
InChIKeyHIGQZZXEBYYBAL-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.17
Rot. Bonds3

About 5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 2059925) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID2059925
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(Br)c1
InChIInChI=1S/C12H10BrN3O/c13-10-5-9(6-14-7-10)12(17)16-8-11-3-1-2-4-15-11/h1-7H,8H2,(H,16,17)
InChIKeyHIGQZZXEBYYBAL-UHFFFAOYSA-N
XLogP2.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 2059925) is 5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccccn1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is HIGQZZXEBYYBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-10-5-9(6-14-7-10)12(17)16-8-11-3-1-2-4-15-11/h1-7H,8H2,(H,16,17).
What are the key properties of 5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 292.14 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2059925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).