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

C14H12BrF2N3O — CID 105384647

IUPACN-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2ccc(F)cc2Br)c1F
InChIInChI=1S/C14H12BrF2N3O/c1-2-18-13-12(17)9(5-6-19-13)14(21)20-11-4-3-8(16)7-10(11)15/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyBTUUTFHOILHZOP-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.81
Rot. Bonds4

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

N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide (PubChem CID 105384647) has the molecular formula C14H12BrF2N3O and a molecular weight of 356.17 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
PubChem CID105384647
Molecular FormulaC14H12BrF2N3O
Molecular Weight356.17 g/mol
Exact Mass355.01
IUPAC NameN-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2ccc(F)cc2Br)c1F
InChIInChI=1S/C14H12BrF2N3O/c1-2-18-13-12(17)9(5-6-19-13)14(21)20-11-4-3-8(16)7-10(11)15/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyBTUUTFHOILHZOP-UHFFFAOYSA-N
XLogP3.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387021
2-(ethylamino)-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384563
N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386278
N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384421
N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166982
N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107631593
N-(2-bromo-4-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384019
N-(2-bromo-4-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640072
2-(ethylamino)-3-fluoro-N-(3-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 105386333
2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 105384074
3-fluoro-N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387986
N-(2-bromo-4-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166813

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide (CID 105384647) is N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide is CCNc1nccc(C(=O)Nc2ccc(F)cc2Br)c1F.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The InChIKey is BTUUTFHOILHZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N3O/c1-2-18-13-12(17)9(5-6-19-13)14(21)20-11-4-3-8(16)7-10(11)15/h3-7H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide has a molecular weight of 356.17 g/mol, XLogP of 3.81, 4 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-(ethylamino)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105384647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).