N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide

C14H12BrClFN3O — CID 107593909

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)Nc2cc(Br)c(F)cc2C)cc1Cl
InChIInChI=1S/C14H12BrClFN3O/c1-7-3-11(17)9(15)5-12(7)20-14(21)8-4-10(16)13(18-2)19-6-8/h3-6H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXYIJGMUPSICYQR-UHFFFAOYSA-N
MW372.63 g/mol
LogP4.24
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide

N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide (PubChem CID 107593909) has the molecular formula C14H12BrClFN3O and a molecular weight of 372.63 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
PubChem CID107593909
Molecular FormulaC14H12BrClFN3O
Molecular Weight372.63 g/mol
Exact Mass370.98
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)Nc2cc(Br)c(F)cc2C)cc1Cl
InChIInChI=1S/C14H12BrClFN3O/c1-7-3-11(17)9(15)5-12(7)20-14(21)8-4-10(16)13(18-2)19-6-8/h3-6H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXYIJGMUPSICYQR-UHFFFAOYSA-N
XLogP4.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.63
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-methoxy-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62872107
N-(4-bromo-2,6-dimethylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62185392
5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 107595440
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62909137
5-chloro-N-(2-chloro-4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166998
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62165739
5-chloro-N-(4-chloro-3-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62176655
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 106551752
5-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167429
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 107606074
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide (CID 107593909) is N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)Nc2cc(Br)c(F)cc2C)cc1Cl.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is XYIJGMUPSICYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN3O/c1-7-3-11(17)9(15)5-12(7)20-14(21)8-4-10(16)13(18-2)19-6-8/h3-6H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 372.63 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107593909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).