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

C14H13BrFN3O — CID 107631593

IUPACN-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C14H13BrFN3O/c1-2-17-13-10(4-3-7-18-13)14(20)19-12-8-9(16)5-6-11(12)15/h3-8H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyAOKIVRDFEXIPLP-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.67
Rot. Bonds4

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

N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide (PubChem CID 107631593) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
PubChem CID107631593
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC NameN-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C14H13BrFN3O/c1-2-17-13-10(4-3-7-18-13)14(20)19-12-8-9(16)5-6-11(12)15/h3-8H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyAOKIVRDFEXIPLP-UHFFFAOYSA-N
XLogP3.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107616528
N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166982
N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103753400
N-(2-bromo-5-fluorophenyl)-2-methoxypyridine-3-carboxamide
CID 103753597
2-(ethylamino)-N-(2-fluoro-4-methylphenyl)pyridine-3-carboxamide
CID 62185386
N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384647
N-(2,4-difluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165523
N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 103481392
N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
N-(2-bromo-5-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 103753363
N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 82861112
5-bromo-N-(2-chloro-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107531221

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide (CID 107631593) is N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide is CCNc1ncccc1C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
The InChIKey is AOKIVRDFEXIPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-2-17-13-10(4-3-7-18-13)14(20)19-12-8-9(16)5-6-11(12)15/h3-8H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide has a molecular weight of 338.18 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107631593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).