N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide

C13H12BrClN4O — CID 79048306

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccc(Br)c(C)n2)cc(Cl)n1
InChIInChI=1S/C13H12BrClN4O/c1-7-9(14)3-4-11(17-7)19-13(20)8-5-10(15)18-12(6-8)16-2/h3-6H,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyBDNFIKVAOOELEC-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.49
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide (PubChem CID 79048306) has the molecular formula C13H12BrClN4O and a molecular weight of 355.62 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
PubChem CID79048306
Molecular FormulaC13H12BrClN4O
Molecular Weight355.62 g/mol
Exact Mass353.99
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccc(Br)c(C)n2)cc(Cl)n1
InChIInChI=1S/C13H12BrClN4O/c1-7-9(14)3-4-11(17-7)19-13(20)8-5-10(15)18-12(6-8)16-2/h3-6H,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyBDNFIKVAOOELEC-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 79049145
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
CID 71987347
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 65437023
3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 79048918
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79048080
N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide
CID 1396763
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide (CID 79048306) is N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2ccc(Br)c(C)n2)cc(Cl)n1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is BDNFIKVAOOELEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4O/c1-7-9(14)3-4-11(17-7)19-13(20)8-5-10(15)18-12(6-8)16-2/h3-6H,1-2H3,(H,16,18)(H,17,19,20).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 355.62 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 79048306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).