N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide

C28H20F2N4O3 — CID 86294241

IUPACN-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1c(Nc2ccc(-c3ccccc3)cc2)c2cccnc2n(O)c1=O
InChIInChI=1S/C28H20F2N4O3/c29-20-11-8-19(23(30)15-20)16-32-27(35)24-25(22-7-4-14-31-26(22)34(37)28(24)36)33-21-12-9-18(10-13-21)17-5-2-1-3-6-17/h1-15,33,37H,16H2,(H,32,35)
InChIKeyAWYQUOUGSSXBJY-UHFFFAOYSA-N
MW498.49 g/mol
LogP5.25
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide (PubChem CID 86294241) has the molecular formula C28H20F2N4O3 and a molecular weight of 498.49 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide
PubChem CID86294241
Molecular FormulaC28H20F2N4O3
Molecular Weight498.49 g/mol
Exact Mass498.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1c(Nc2ccc(-c3ccccc3)cc2)c2cccnc2n(O)c1=O
InChIInChI=1S/C28H20F2N4O3/c29-20-11-8-19(23(30)15-20)16-32-27(35)24-25(22-7-4-14-31-26(22)34(37)28(24)36)33-21-12-9-18(10-13-21)17-5-2-1-3-6-17/h1-15,33,37H,16H2,(H,32,35)
InChIKeyAWYQUOUGSSXBJY-UHFFFAOYSA-N
XLogP5.25
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.49
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide (CID 86294241) is N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide is O=C(NCc1ccc(F)cc1F)c1c(Nc2ccc(-c3ccccc3)cc2)c2cccnc2n(O)c1=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide?
The InChIKey is AWYQUOUGSSXBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F2N4O3/c29-20-11-8-19(23(30)15-20)16-32-27(35)24-25(22-7-4-14-31-26(22)34(37)28(24)36)33-21-12-9-18(10-13-21)17-5-2-1-3-6-17/h1-15,33,37H,16H2,(H,32,35).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide has a molecular weight of 498.49 g/mol, XLogP of 5.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-4-(4-phenylanilino)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 86294241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).