4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide

C15H14BrF2N3O3 — CID 87855012

IUPAC4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide
SMILESCCCONC(=O)c1c[nH]c(=O)c(F)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrF2N3O3/c1-2-5-24-21-14(22)9-7-19-15(23)12(18)13(9)20-11-4-3-8(16)6-10(11)17/h3-4,6-7H,2,5H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyBJRODXJEYNPNLG-UHFFFAOYSA-N
MW402.20 g/mol
LogP3.23
Rot. Bonds6

About 4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide

4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide (PubChem CID 87855012) has the molecular formula C15H14BrF2N3O3 and a molecular weight of 402.20 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide
PubChem CID87855012
Molecular FormulaC15H14BrF2N3O3
Molecular Weight402.20 g/mol
Exact Mass401.02
IUPAC Name4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide
SMILESCCCONC(=O)c1c[nH]c(=O)c(F)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrF2N3O3/c1-2-5-24-21-14(22)9-7-19-15(23)12(18)13(9)20-11-4-3-8(16)6-10(11)17/h3-4,6-7H,2,5H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyBJRODXJEYNPNLG-UHFFFAOYSA-N
XLogP3.23
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.20
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromo-2-fluoroanilino)-N-(1-cyclopropylethyl)-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
CID 69488407
7-(4-bromo-2-fluoroanilino)-N-propoxy-1,2-benzothiazole-6-carboxamide
CID 143922207
4-(4-bromo-2-fluoroanilino)-5-chloro-N-(1-cyclopropylethoxy)-6-oxo-1H-pyridine-3-carboxamide
CID 87855275
4-(4-bromo-2-fluoroanilino)-5-(chloromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 90767040
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411
2-(4-bromo-2-fluoroanilino)-5-(dimethylamino)-3-fluoro-N-(2-hydroxyethoxy)-4-(methylideneamino)benzamide
CID 155220776
2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide
CID 143220419
3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide
CID 10126260
7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353191
6-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)-3,3-dimethyl-1-oxo-2H-isoindole-5-carboxamide
CID 88942623
5-bromo-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 22271685
4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11690375

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide (CID 87855012) is 4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide is CCCONC(=O)c1c[nH]c(=O)c(F)c1Nc1ccc(Br)cc1F.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide?
The InChIKey is BJRODXJEYNPNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N3O3/c1-2-5-24-21-14(22)9-7-19-15(23)12(18)13(9)20-11-4-3-8(16)6-10(11)17/h3-4,6-7H,2,5H2,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of 4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide?
4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide has a molecular weight of 402.20 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide is sourced from PubChem (CID 87855012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).