N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide

C14H13BrClN3O — CID 104725128

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C14H13BrClN3O/c1-8-6-10(15)12(7-11(8)16)19-14(20)9-4-3-5-18-13(9)17-2/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeySKMOTBHLOIDSGC-UHFFFAOYSA-N
MW354.64 g/mol
LogP4.10
Rot. Bonds3

About N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide

N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 104725128) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID104725128
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C14H13BrClN3O/c1-8-6-10(15)12(7-11(8)16)19-14(20)9-4-3-5-18-13(9)17-2/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeySKMOTBHLOIDSGC-UHFFFAOYSA-N
XLogP4.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 107793732
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565
N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 104725169
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
CID 114918857
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(3,4-dimethylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173357
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(2-bromo-4-chlorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 81274967

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide (CID 104725128) is N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is SKMOTBHLOIDSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-8-6-10(15)12(7-11(8)16)19-14(20)9-4-3-5-18-13(9)17-2/h3-7H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 354.64 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 104725128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).