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

C21H18FN5O3 — CID 135869552

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

7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide (PubChem CID 135869552) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide.

Molecular Properties

• Compound Name: 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide
• PubChem CID: 135869552
• Molecular Formula: C21H18FN5O3
• Molecular Weight: 407.41 g/mol
• Exact Mass: 407.14
• IUPAC Name: 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide
• SMILES: CC(C)NC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
• InChI: InChI=1S/C21H18FN5O3/c1-11(2)24-20(29)17-14-4-3-9-23-16(14)19(28)18(25-17)21-27-26-15(30-21)10-12-5-7-13(22)8-6-12/h3-9,11,28H,10H2,1-2H3,(H,24,29)
• InChIKey: OUUHXNLFXIWKTB-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 114.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.41
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide?

The IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide (CID 135869552) is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide.

What is the SMILES notation for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide?

The canonical SMILES for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide is CC(C)NC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12.

What is the InChIKey of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide?

The InChIKey is OUUHXNLFXIWKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-11(2)24-20(29)17-14-4-3-9-23-16(14)19(28)18(25-17)21-27-26-15(30-21)10-12-5-7-13(22)8-6-12/h3-9,11,28H,10H2,1-2H3,(H,24,29).

What are the key properties of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide?

7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 135869552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).