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

C25H18FN5O3 — CID 135518325

IUPACN-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1
InChIInChI=1S/C25H18FN5O3/c1-14(32)28-18-10-6-16(7-11-18)21-19-3-2-12-27-22(19)24(33)23(29-21)25-31-30-20(34-25)13-15-4-8-17(26)9-5-15/h2-12,33H,13H2,1H3,(H,28,32)
InChIKeyGVCDCTSHHCUSRI-UHFFFAOYSA-N
MW455.45 g/mol
LogP4.74
Rot. Bonds5

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

N-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide (PubChem CID 135518325) has the molecular formula C25H18FN5O3 and a molecular weight of 455.45 g/mol. Its IUPAC name is N-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide
PubChem CID135518325
Molecular FormulaC25H18FN5O3
Molecular Weight455.45 g/mol
Exact Mass455.14
IUPAC NameN-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1
InChIInChI=1S/C25H18FN5O3/c1-14(32)28-18-10-6-16(7-11-18)21-19-3-2-12-27-22(19)24(33)23(29-21)25-31-30-20(34-25)13-15-4-8-17(26)9-5-15/h2-12,33H,13H2,1H3,(H,28,32)
InChIKeyGVCDCTSHHCUSRI-UHFFFAOYSA-N
XLogP4.74
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide (CID 135518325) is N-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1.
What is the InChIKey of N-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide?
The InChIKey is GVCDCTSHHCUSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O3/c1-14(32)28-18-10-6-16(7-11-18)21-19-3-2-12-27-22(19)24(33)23(29-21)25-31-30-20(34-25)13-15-4-8-17(26)9-5-15/h2-12,33H,13H2,1H3,(H,28,32).
What are the key properties of N-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide?
N-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide has a molecular weight of 455.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 135518325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).