N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide

C13H10BrF2N3O — CID 107616564

IUPACN-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cc(F)c(Br)cc2F)ccn1
InChIInChI=1S/C13H10BrF2N3O/c1-17-12-4-7(2-3-18-12)13(20)19-11-6-9(15)8(14)5-10(11)16/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyKPUDSKJEBNSGHV-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.42
Rot. Bonds3

About N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide

N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 107616564) has the molecular formula C13H10BrF2N3O and a molecular weight of 342.14 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID107616564
Molecular FormulaC13H10BrF2N3O
Molecular Weight342.14 g/mol
Exact Mass341.00
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cc(F)c(Br)cc2F)ccn1
InChIInChI=1S/C13H10BrF2N3O/c1-17-12-4-7(2-3-18-12)13(20)19-11-6-9(15)8(14)5-10(11)16/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyKPUDSKJEBNSGHV-UHFFFAOYSA-N
XLogP3.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62165424
N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 55046905
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330
N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 79049145
N-(3,5-dimethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62167632
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398
N-(5-fluoro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 65479896
4-[(4-bromo-2,5-difluorophenyl)carbamoyl]benzoic acid
CID 107615306
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
2-(methylamino)-N-naphthalen-1-ylpyridine-4-carboxamide
CID 62185750

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide (CID 107616564) is N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2cc(F)c(Br)cc2F)ccn1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is KPUDSKJEBNSGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N3O/c1-17-12-4-7(2-3-18-12)13(20)19-11-6-9(15)8(14)5-10(11)16/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 342.14 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 107616564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).