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

C12H10BrN3O — CID 107517841

IUPAC3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ncccc1Br
InChIInChI=1S/C12H10BrN3O/c13-10-4-2-6-15-11(10)12(17)16-8-9-3-1-5-14-7-9/h1-7H,8H2,(H,16,17)
InChIKeyCXPBMGGSBRJHLZ-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.17
Rot. Bonds3

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

3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 107517841) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID107517841
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ncccc1Br
InChIInChI=1S/C12H10BrN3O/c13-10-4-2-6-15-11(10)12(17)16-8-9-3-1-5-14-7-9/h1-7H,8H2,(H,16,17)
InChIKeyCXPBMGGSBRJHLZ-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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Related Compounds

2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 107519523
N-[(3-aminophenyl)methyl]-3-bromopyridine-2-carboxamide
CID 107516900
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
methyl 4-[[(3-bromopyridine-2-carbonyl)amino]methyl]benzoate
CID 107518096
4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2193327
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 107517841) is 3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cccnc1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is CXPBMGGSBRJHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-10-4-2-6-15-11(10)12(17)16-8-9-3-1-5-14-7-9/h1-7H,8H2,(H,16,17).
What are the key properties of 3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-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 3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107517841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).