1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide

C19H12FN5O4S — CID 43996202

IUPAC1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cc2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C19H12FN5O4S/c20-14-6-2-1-4-12(14)10-24-16-11(5-3-7-21-16)8-13(18(24)27)17(26)23-19-22-9-15(30-19)25(28)29/h1-9H,10H2,(H,22,23,26)
InChIKeyHEQXUDZEXLLWNF-UHFFFAOYSA-N
MW425.40 g/mol
LogP3.20
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 43996202) has the molecular formula C19H12FN5O4S and a molecular weight of 425.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID43996202
Molecular FormulaC19H12FN5O4S
Molecular Weight425.40 g/mol
Exact Mass425.06
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cc2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C19H12FN5O4S/c20-14-6-2-1-4-12(14)10-24-16-11(5-3-7-21-16)8-13(18(24)27)17(26)23-19-22-9-15(30-19)25(28)29/h1-9H,10H2,(H,22,23,26)
InChIKeyHEQXUDZEXLLWNF-UHFFFAOYSA-N
XLogP3.20
TPSA120.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

1-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621080
1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621018
1-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621078
N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621088
1-[(2-fluorophenyl)methyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 135782798
N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996190
1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 43996224
N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621091
1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996215
1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7620990
1-benzyl-N-(2-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620230
1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620975

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 43996202) is 1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1cc2cccnc2n(Cc2ccccc2F)c1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is HEQXUDZEXLLWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5O4S/c20-14-6-2-1-4-12(14)10-24-16-11(5-3-7-21-16)8-13(18(24)27)17(26)23-19-22-9-15(30-19)25(28)29/h1-9H,10H2,(H,22,23,26).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 425.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).