N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide

C20H16FN5O3 — CID 135869512

IUPACN-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C20H16FN5O3/c1-11(27)26(2)19-14-4-3-9-22-16(14)18(28)17(23-19)20-25-24-15(29-20)10-12-5-7-13(21)8-6-12/h3-9,28H,10H2,1-2H3
InChIKeyVNAAONNUVDYKKE-UHFFFAOYSA-N
MW393.38 g/mol
LogP3.10
Rot. Bonds4

About N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide

N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide (PubChem CID 135869512) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide
PubChem CID135869512
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC NameN-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C20H16FN5O3/c1-11(27)26(2)19-14-4-3-9-22-16(14)18(28)17(23-19)20-25-24-15(29-20)10-12-5-7-13(21)8-6-12/h3-9,28H,10H2,1-2H3
InChIKeyVNAAONNUVDYKKE-UHFFFAOYSA-N
XLogP3.10
TPSA105.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide?
The IUPAC name of N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide (CID 135869512) is N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide.
What is the SMILES notation for N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide?
The canonical SMILES for N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide is CC(=O)N(C)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12.
What is the InChIKey of N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide?
The InChIKey is VNAAONNUVDYKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c1-11(27)26(2)19-14-4-3-9-22-16(14)18(28)17(23-19)20-25-24-15(29-20)10-12-5-7-13(21)8-6-12/h3-9,28H,10H2,1-2H3.
What are the key properties of N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide?
N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide has a molecular weight of 393.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-methylacetamide is sourced from PubChem (CID 135869512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).