5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide

C13H11BrClN3O — CID 62166736

IUPAC5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H11BrClN3O/c1-16-12-9(6-8(14)7-17-12)13(19)18-11-5-3-2-4-10(11)15/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyJRSOACVQDASNOY-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.79
Rot. Bonds3

About 5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide

5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62166736) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID62166736
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H11BrClN3O/c1-16-12-9(6-8(14)7-17-12)13(19)18-11-5-3-2-4-10(11)15/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyJRSOACVQDASNOY-UHFFFAOYSA-N
XLogP3.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-chloro-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166293
5-bromo-N-(4-bromo-2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167546
5-bromo-N-(2-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62165434
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 65499656
5-bromo-N-(2-chloro-4-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166681
5-bromo-N-(2,3-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181848
5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62170659
5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 107801323
5-bromo-N-(3-chloro-2-methylphenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62186772
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
CID 62812436
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide (CID 62166736) is 5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of 5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is JRSOACVQDASNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c1-16-12-9(6-8(14)7-17-12)13(19)18-11-5-3-2-4-10(11)15/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 340.61 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62166736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).