4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide

C26H24F2N4O3 — CID 86291747

IUPAC4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide
SMILESNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncc(CCCCc3ccccc3)cc12
InChIInChI=1S/C26H24F2N4O3/c27-19-11-10-18(21(28)13-19)15-31-25(33)22-23(29)20-12-17(14-30-24(20)32(35)26(22)34)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-14,35H,4-5,8-9,15,29H2,(H,31,33)
InChIKeyWGPQZNMRNJBJGE-UHFFFAOYSA-N
MW478.50 g/mol
LogP3.99
Rot. Bonds8

About 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide

4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 86291747) has the molecular formula C26H24F2N4O3 and a molecular weight of 478.50 g/mol. Its IUPAC name is 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide
PubChem CID86291747
Molecular FormulaC26H24F2N4O3
Molecular Weight478.50 g/mol
Exact Mass478.18
IUPAC Name4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide
SMILESNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncc(CCCCc3ccccc3)cc12
InChIInChI=1S/C26H24F2N4O3/c27-19-11-10-18(21(28)13-19)15-31-25(33)22-23(29)20-12-17(14-30-24(20)32(35)26(22)34)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-14,35H,4-5,8-9,15,29H2,(H,31,33)
InChIKeyWGPQZNMRNJBJGE-UHFFFAOYSA-N
XLogP3.99
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide (CID 86291747) is 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide is Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncc(CCCCc3ccccc3)cc12.
What is the InChIKey of 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is WGPQZNMRNJBJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O3/c27-19-11-10-18(21(28)13-19)15-31-25(33)22-23(29)20-12-17(14-30-24(20)32(35)26(22)34)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-14,35H,4-5,8-9,15,29H2,(H,31,33).
What are the key properties of 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide?
4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 478.50 g/mol, XLogP of 3.99, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 86291747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).