8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane

C20H21FN6O2 — CID 144761831

IUPAC8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane
SMILESCC.Cc1ccc(Nc2c(-c3nnc(N)o3)c3ncccc3c(=O)n2C)c(F)c1
InChIInChI=1S/C18H15FN6O2.C2H6/c1-9-5-6-12(11(19)8-9)22-15-13(16-23-24-18(20)27-16)14-10(4-3-7-21-14)17(26)25(15)2;1-2/h3-8,22H,1-2H3,(H2,20,24);1-2H3
InChIKeyLGLGKHKLMISGML-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.78
Rot. Bonds3

About 8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane

8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane (PubChem CID 144761831) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane.

Molecular Properties

Compound Name8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane
PubChem CID144761831
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane
SMILESCC.Cc1ccc(Nc2c(-c3nnc(N)o3)c3ncccc3c(=O)n2C)c(F)c1
InChIInChI=1S/C18H15FN6O2.C2H6/c1-9-5-6-12(11(19)8-9)22-15-13(16-23-24-18(20)27-16)14-10(4-3-7-21-14)17(26)25(15)2;1-2/h3-8,22H,1-2H3,(H2,20,24);1-2H3
InChIKeyLGLGKHKLMISGML-UHFFFAOYSA-N
XLogP3.78
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane
CID 144761812
4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one
CID 86582288
2-(2-fluoro-4-methylanilino)-1-methylpyrrolo[2,3-b]pyridine-3-carbonyl chloride
CID 142476391
2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 142476362
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine
CID 142991697
8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163894
ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711337
6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
CID 126592205
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123636689

Frequently Asked Questions

What is the IUPAC name of 8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane?
The IUPAC name of 8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane (CID 144761831) is 8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane.
What is the SMILES notation for 8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane?
The canonical SMILES for 8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane is CC.Cc1ccc(Nc2c(-c3nnc(N)o3)c3ncccc3c(=O)n2C)c(F)c1.
What is the InChIKey of 8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane?
The InChIKey is LGLGKHKLMISGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2.C2H6/c1-9-5-6-12(11(19)8-9)22-15-13(16-23-24-18(20)27-16)14-10(4-3-7-21-14)17(26)25(15)2;1-2/h3-8,22H,1-2H3,(H2,20,24);1-2H3.
What are the key properties of 8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane?
8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane has a molecular weight of 396.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane is sourced from PubChem (CID 144761831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).