N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide

C15H15BrFN3O — CID 105386278

IUPACN-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2ccc(C)c(Br)c2)c1F
InChIInChI=1S/C15H15BrFN3O/c1-3-18-14-13(17)11(6-7-19-14)15(21)20-10-5-4-9(2)12(16)8-10/h4-8H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFWWRFKOURYANSA-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.98
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide

N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide (PubChem CID 105386278) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
PubChem CID105386278
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2ccc(C)c(Br)c2)c1F
InChIInChI=1S/C15H15BrFN3O/c1-3-18-14-13(17)11(6-7-19-14)15(21)20-10-5-4-9(2)12(16)8-10/h4-8H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFWWRFKOURYANSA-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

N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384421
2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 105384074
N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384647
3-fluoro-N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386819
2-(ethylamino)-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384563
2-(ethylamino)-3-fluoro-N-(3-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 105386333
N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387021
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727
2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384093
2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 105387704
2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 105387592
2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide
CID 105387662

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide (CID 105386278) is N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide is CCNc1nccc(C(=O)Nc2ccc(C)c(Br)c2)c1F.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The InChIKey is FWWRFKOURYANSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-3-18-14-13(17)11(6-7-19-14)15(21)20-10-5-4-9(2)12(16)8-10/h4-8H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-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-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105386278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).