6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide

C17H15BrFN3O2 — CID 143148924

IUPAC6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
SMILESC=Cc1c(Br)nc(C(=O)NCc2cccc(F)c2)c(O)c1/N=C/C
InChIInChI=1S/C17H15BrFN3O2/c1-3-12-13(20-4-2)15(23)14(22-16(12)18)17(24)21-9-10-6-5-7-11(19)8-10/h3-8,23H,1,9H2,2H3,(H,21,24)/b20-4+
InChIKeyUSSITPMZKTUFNU-LRNAUUFOSA-N
MW392.23 g/mol
LogP3.98
Rot. Bonds5

About 6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide

6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 143148924) has the molecular formula C17H15BrFN3O2 and a molecular weight of 392.23 g/mol. Its IUPAC name is 6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
PubChem CID143148924
Molecular FormulaC17H15BrFN3O2
Molecular Weight392.23 g/mol
Exact Mass391.03
IUPAC Name6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
SMILESC=Cc1c(Br)nc(C(=O)NCc2cccc(F)c2)c(O)c1/N=C/C
InChIInChI=1S/C17H15BrFN3O2/c1-3-12-13(20-4-2)15(23)14(22-16(12)18)17(24)21-9-10-6-5-7-11(19)8-10/h3-8,23H,1,9H2,2H3,(H,21,24)/b20-4+
InChIKeyUSSITPMZKTUFNU-LRNAUUFOSA-N
XLogP3.98
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.23
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of 6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide (CID 143148924) is 6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for 6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide is C=Cc1c(Br)nc(C(=O)NCc2cccc(F)c2)c(O)c1/N=C/C.
What is the InChIKey of 6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is USSITPMZKTUFNU-LRNAUUFOSA-N. The full InChI is InChI=1S/C17H15BrFN3O2/c1-3-12-13(20-4-2)15(23)14(22-16(12)18)17(24)21-9-10-6-5-7-11(19)8-10/h3-8,23H,1,9H2,2H3,(H,21,24)/b20-4+.
What are the key properties of 6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide?
6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 392.23 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-ethenyl-4-(ethylideneamino)-N-[(3-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 143148924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).