N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide

C13H11BrFN3O — CID 81245752

IUPACN-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C13H11BrFN3O/c1-16-12-4-5-17-7-9(12)13(19)18-8-2-3-10(14)11(15)6-8/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyHJHFXVSYQRBHIN-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.28
Rot. Bonds3

About N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide

N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81245752) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide
PubChem CID81245752
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC NameN-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C13H11BrFN3O/c1-16-12-4-5-17-7-9(12)13(19)18-8-2-3-10(14)11(15)6-8/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyHJHFXVSYQRBHIN-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-fluoro-3-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 114840716
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
N-(3,4-difluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068229
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 65435448
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245636
N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069465
N-(3-chloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81233976
N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245977
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 65435257
N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 81234726
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038522

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide (CID 81245752) is N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is HJHFXVSYQRBHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c1-16-12-4-5-17-7-9(12)13(19)18-8-2-3-10(14)11(15)6-8/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide?
N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-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-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81245752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).