N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide

C14H12BrF2N3O — CID 107616528

IUPACN-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H12BrF2N3O/c1-2-18-13-8(4-3-5-19-13)14(21)20-12-7-10(16)9(15)6-11(12)17/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyVOAVITJGYJQUAK-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.81
Rot. Bonds4

About N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide

N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide (PubChem CID 107616528) has the molecular formula C14H12BrF2N3O and a molecular weight of 356.17 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
PubChem CID107616528
Molecular FormulaC14H12BrF2N3O
Molecular Weight356.17 g/mol
Exact Mass355.01
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H12BrF2N3O/c1-2-18-13-8(4-3-5-19-13)14(21)20-12-7-10(16)9(15)6-11(12)17/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyVOAVITJGYJQUAK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107631593
2-(ethylamino)-N-(2-fluoro-4-methylphenyl)pyridine-3-carboxamide
CID 62185386
2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 103842464
N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
N-(2,4-difluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165523
N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 103481392
N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166982
N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
CID 103842493
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62166744
N-(1,3-dimethylpyrazol-4-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 102807240
N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387021

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide (CID 107616528) is N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide is CCNc1ncccc1C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
The InChIKey is VOAVITJGYJQUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N3O/c1-2-18-13-8(4-3-5-19-13)14(21)20-12-7-10(16)9(15)6-11(12)17/h3-7H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-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-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107616528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).