4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

C21H14N4O5 — CID 54715429

IUPAC4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C21H14N4O5/c26-18-16-10-5-11-22-19(16)24(14-7-2-1-3-8-14)21(28)17(18)20(27)23-13-6-4-9-15(12-13)25(29)30/h1-12,26H,(H,23,27)
InChIKeyLZGFOOCVBLVEFU-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.25
Rot. Bonds4

About 4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (PubChem CID 54715429) has the molecular formula C21H14N4O5 and a molecular weight of 402.37 g/mol. Its IUPAC name is 4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
PubChem CID54715429
Molecular FormulaC21H14N4O5
Molecular Weight402.37 g/mol
Exact Mass402.10
IUPAC Name4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C21H14N4O5/c26-18-16-10-5-11-22-19(16)24(14-7-2-1-3-8-14)21(28)17(18)20(27)23-13-6-4-9-15(12-13)25(29)30/h1-12,26H,(H,23,27)
InChIKeyLZGFOOCVBLVEFU-UHFFFAOYSA-N
XLogP3.25
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (CID 54715429) is 4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is LZGFOOCVBLVEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O5/c26-18-16-10-5-11-22-19(16)24(14-7-2-1-3-8-14)21(28)17(18)20(27)23-13-6-4-9-15(12-13)25(29)30/h1-12,26H,(H,23,27).
What are the key properties of 4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 402.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-nitrophenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54715429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).