1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C23H18FN3O2 — CID 7621018

IUPAC1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)cc1
InChIInChI=1S/C23H18FN3O2/c1-15-8-10-18(11-9-15)26-22(28)19-13-16-6-4-12-25-21(16)27(23(19)29)14-17-5-2-3-7-20(17)24/h2-13H,14H2,1H3,(H,26,28)
InChIKeyVXCXOPSTZYMMBJ-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.14
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7621018) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7621018
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)cc1
InChIInChI=1S/C23H18FN3O2/c1-15-8-10-18(11-9-15)26-22(28)19-13-16-6-4-12-25-21(16)27(23(19)29)14-17-5-2-3-7-20(17)24/h2-13H,14H2,1H3,(H,26,28)
InChIKeyVXCXOPSTZYMMBJ-UHFFFAOYSA-N
XLogP4.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 135782798
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]-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 43996224
N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996190
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
N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620565
N-(2-ethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620518
N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621091
1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619936

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7621018) is 1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is VXCXOPSTZYMMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-15-8-10-18(11-9-15)26-22(28)19-13-16-6-4-12-25-21(16)27(23(19)29)14-17-5-2-3-7-20(17)24/h2-13H,14H2,1H3,(H,26,28).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7621018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).