N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide

C13H11BrFN3O — CID 62165424

IUPACN-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccc(F)cc2Br)ccn1
InChIInChI=1S/C13H11BrFN3O/c1-16-12-6-8(4-5-17-12)13(19)18-11-3-2-9(15)7-10(11)14/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyIMVKUVXETYMKSU-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.28
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide

N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 62165424) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID62165424
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC NameN-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccc(F)cc2Br)ccn1
InChIInChI=1S/C13H11BrFN3O/c1-16-12-6-8(4-5-17-12)13(19)18-11-3-2-9(15)7-10(11)14/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyIMVKUVXETYMKSU-UHFFFAOYSA-N
XLogP3.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 107616564
N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 55046905
N-(2-bromo-4-fluorophenyl)pyridine-4-carboxamide
CID 28938574
N-(2-bromo-4-fluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210074
N-(5-fluoro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 65479896
N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922037
N-(2,4-dibromophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 55051327
2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide
CID 103756062
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide (CID 62165424) is N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2ccc(F)cc2Br)ccn1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is IMVKUVXETYMKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c1-16-12-6-8(4-5-17-12)13(19)18-11-3-2-9(15)7-10(11)14/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 324.15 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62165424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).