5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide

C15H13BrN4O — CID 107801323

IUPAC5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)Nc1cccc(C)c1C#N
InChIInChI=1S/C15H13BrN4O/c1-9-4-3-5-13(12(9)7-17)20-15(21)11-6-10(16)8-19-14(11)18-2/h3-6,8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyQRQLXGNOCLIZIC-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.32
Rot. Bonds3

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

5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 107801323) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID107801323
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)Nc1cccc(C)c1C#N
InChIInChI=1S/C15H13BrN4O/c1-9-4-3-5-13(12(9)7-17)20-15(21)11-6-10(16)8-19-14(11)18-2/h3-6,8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyQRQLXGNOCLIZIC-UHFFFAOYSA-N
XLogP3.32
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,3-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181848
5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166736
2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide
CID 103886633
5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 107801317
5-bromo-N-(3-chloro-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166293
2-bromo-N-(2-cyano-3-methylphenyl)-5-iodobenzamide
CID 106547457
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-amino-2-bromo-N-(2-cyano-3-methylphenyl)benzamide
CID 107802401
5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62170659
5-bromo-N-(4-bromo-2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167546
2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide
CID 107799208

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide (CID 107801323) is 5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)Nc1cccc(C)c1C#N.
What is the InChIKey of 5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is QRQLXGNOCLIZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-9-4-3-5-13(12(9)7-17)20-15(21)11-6-10(16)8-19-14(11)18-2/h3-6,8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107801323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).