5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide

C14H12BrClFN3O — CID 107531221

IUPAC5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H12BrClFN3O/c1-2-18-13-10(5-8(15)7-19-13)14(21)20-12-6-9(17)3-4-11(12)16/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyFSVWSQJKYLZQLW-UHFFFAOYSA-N
MW372.63 g/mol
LogP4.32
Rot. Bonds4

About 5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide

5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide (PubChem CID 107531221) has the molecular formula C14H12BrClFN3O and a molecular weight of 372.63 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
PubChem CID107531221
Molecular FormulaC14H12BrClFN3O
Molecular Weight372.63 g/mol
Exact Mass370.98
IUPAC Name5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H12BrClFN3O/c1-2-18-13-10(5-8(15)7-19-13)14(21)20-12-6-9(17)3-4-11(12)16/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyFSVWSQJKYLZQLW-UHFFFAOYSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.63
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 62167609
5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 63501333
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62166744
5-bromo-N-(3-chloro-2-methylphenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62186772
5-bromo-N-(2-chloro-4-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166681
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide
CID 107531156
N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107631593
5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide
CID 113231143
5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166736
5-bromo-2-(ethylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 62174779
5-bromo-N-(3-chloro-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166293

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide (CID 107531221) is 5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of 5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
The InChIKey is FSVWSQJKYLZQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN3O/c1-2-18-13-10(5-8(15)7-19-13)14(21)20-12-6-9(17)3-4-11(12)16/h3-7H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide has a molecular weight of 372.63 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107531221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).