N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide

C15H13BrN4O — CID 107793713

IUPACN-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccc(C#N)cc2Br)cc(C)n1
InChIInChI=1S/C15H13BrN4O/c1-9-5-11(7-14(18-2)19-9)15(21)20-13-4-3-10(8-17)6-12(13)16/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXUYMMWLFNRLBJS-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.32
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide

N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 107793713) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
PubChem CID107793713
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC NameN-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccc(C#N)cc2Br)cc(C)n1
InChIInChI=1S/C15H13BrN4O/c1-9-5-11(7-14(18-2)19-9)15(21)20-13-4-3-10(8-17)6-12(13)16/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXUYMMWLFNRLBJS-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

N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 107793985
3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
CID 104852225
N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
CID 61259361
2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide
CID 107793724
3-bromo-4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107795220
N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107793977
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848
N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 107793732
2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 104848528
N-(2-bromo-4-cyanophenyl)-3-chloro-4-hydroxybenzamide
CID 107791108
6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107792674
2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107791200

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide (CID 107793713) is N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2ccc(C#N)cc2Br)cc(C)n1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is XUYMMWLFNRLBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-9-5-11(7-14(18-2)19-9)15(21)20-13-4-3-10(8-17)6-12(13)16/h3-7H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide?
N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-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 N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 107793713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).