5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide

C14H12BrClFN3O — CID 63501333

IUPAC5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H12BrClFN3O/c1-2-18-13-10(5-8(15)7-19-13)14(21)20-9-3-4-11(16)12(17)6-9/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyVVDJEZQPLJQWQA-UHFFFAOYSA-N
MW372.63 g/mol
LogP4.32
Rot. Bonds4

About 5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide

5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide (PubChem CID 63501333) has the molecular formula C14H12BrClFN3O and a molecular weight of 372.63 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
PubChem CID63501333
Molecular FormulaC14H12BrClFN3O
Molecular Weight372.63 g/mol
Exact Mass370.98
IUPAC Name5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H12BrClFN3O/c1-2-18-13-10(5-8(15)7-19-13)14(21)20-9-3-4-11(16)12(17)6-9/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyVVDJEZQPLJQWQA-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-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107531221
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-(3-cyanophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62165850
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzamide
CID 62177542
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661409
3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 107980248
4-chloro-N-(4-chloro-3-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81226487
N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
5-bromo-2-(ethylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 62174779

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide (CID 63501333) is 5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
The InChIKey is VVDJEZQPLJQWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN3O/c1-2-18-13-10(5-8(15)7-19-13)14(21)20-9-3-4-11(16)12(17)6-9/h3-7H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
5-bromo-N-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 63501333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).