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

C14H12BrF2N3O — CID 105387648

IUPACN-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2cc(F)c(Br)cc2C)c1F
InChIInChI=1S/C14H12BrF2N3O/c1-7-5-9(15)10(16)6-11(7)20-14(21)8-3-4-19-13(18-2)12(8)17/h3-6H,1-2H3,(H,18,19)(H,20,21)
InChIKeyRAVMGUDLDQAHKC-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.72
Rot. Bonds3

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

N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105387648) has the molecular formula C14H12BrF2N3O and a molecular weight of 356.17 g/mol. Its IUPAC name is N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105387648
Molecular FormulaC14H12BrF2N3O
Molecular Weight356.17 g/mol
Exact Mass355.01
IUPAC NameN-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2cc(F)c(Br)cc2C)c1F
InChIInChI=1S/C14H12BrF2N3O/c1-7-5-9(15)10(16)6-11(7)20-14(21)8-3-4-19-13(18-2)12(8)17/h3-6H,1-2H3,(H,18,19)(H,20,21)
InChIKeyRAVMGUDLDQAHKC-UHFFFAOYSA-N
XLogP3.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385053
N-(2-bromo-4-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384019
N-(5-chloro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105383965
3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105384530
3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105386062
3-fluoro-N-(2-fluoro-4-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105383951
N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385118
3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 105384003
N-(2,3-difluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385160
N-(2-chloro-5-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 107631178
N-(2,5-difluoro-4-methylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 103587401
N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386639

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105387648) is N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)Nc2cc(F)c(Br)cc2C)c1F.
What is the InChIKey of N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is RAVMGUDLDQAHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N3O/c1-7-5-9(15)10(16)6-11(7)20-14(21)8-3-4-19-13(18-2)12(8)17/h3-6H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 356.17 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105387648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).