N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide

C15H15BrFN3O — CID 81234726

IUPACN-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C15H15BrFN3O/c1-3-18-14-6-9(2)19-8-11(14)15(21)20-10-4-5-12(16)13(17)7-10/h4-8H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPCWLOKJIJSZBMN-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.98
Rot. Bonds4

About N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide

N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide (PubChem CID 81234726) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
PubChem CID81234726
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC NameN-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C15H15BrFN3O/c1-3-18-14-6-9(2)19-8-11(14)15(21)20-10-4-5-12(16)13(17)7-10/h4-8H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPCWLOKJIJSZBMN-UHFFFAOYSA-N
XLogP3.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-6-methyl-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide
CID 81237833
4-(ethylamino)-N-(2-fluoro-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81238867
N-(4-cyanophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 81239209
4-(ethylamino)-6-methyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 81235839
N-(2,6-dimethylphenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 81237854
N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245752
N-(4-chlorophenyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238211
4-(ethylamino)-6-methyl-N-pyridin-2-ylpyridine-3-carboxamide
CID 81236954
N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide
CID 104779865
4-(ethylamino)-6-methyl-N-(3-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81234677
4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
4-chloro-N-(4-chloro-3-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81226487

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide (CID 81234726) is N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide is CCNc1cc(C)ncc1C(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide?
The InChIKey is PCWLOKJIJSZBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-3-18-14-6-9(2)19-8-11(14)15(21)20-10-4-5-12(16)13(17)7-10/h4-8H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide?
N-(4-bromo-3-fluorophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide has a molecular weight of 352.21 g/mol, XLogP of 3.98, 4 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-(ethylamino)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81234726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).