N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

C16H11FN4O4 — CID 7619564

IUPACN-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc2cccnc21
InChIInChI=1S/C16H11FN4O4/c1-20-14-9(3-2-6-18-14)7-11(16(20)23)15(22)19-10-4-5-12(17)13(8-10)21(24)25/h2-8H,1H3,(H,19,22)
InChIKeyNGULISSVUSLVBQ-UHFFFAOYSA-N
MW342.29 g/mol
LogP2.23
Rot. Bonds3

About N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7619564) has the molecular formula C16H11FN4O4 and a molecular weight of 342.29 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7619564
Molecular FormulaC16H11FN4O4
Molecular Weight342.29 g/mol
Exact Mass342.08
IUPAC NameN-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc2cccnc21
InChIInChI=1S/C16H11FN4O4/c1-20-14-9(3-2-6-18-14)7-11(16(20)23)15(22)19-10-4-5-12(17)13(8-10)21(24)25/h2-8H,1H3,(H,19,22)
InChIKeyNGULISSVUSLVBQ-UHFFFAOYSA-N
XLogP2.23
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N-(2,4-difluorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619538
N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619555
N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619615
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43995816
1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620241
N-(4-fluoro-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 42161818
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621018
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
CID 38926215
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7619564) is N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc2cccnc21.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is NGULISSVUSLVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O4/c1-20-14-9(3-2-6-18-14)7-11(16(20)23)15(22)19-10-4-5-12(17)13(8-10)21(24)25/h2-8H,1H3,(H,19,22).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 342.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7619564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).