N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide

C20H28N4O4 — CID 172657246

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 172657246) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide
• PubChem CID: 172657246
• Molecular Formula: C20H28N4O4
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.21
• IUPAC Name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide
• SMILES: CCc1nnc(CN(C(=O)c2c(C)ccn(CC3CCCO3)c2=O)C(C)C)o1
• InChI: InChI=1S/C20H28N4O4/c1-5-16-21-22-17(28-16)12-24(13(2)3)20(26)18-14(4)8-9-23(19(18)25)11-15-7-6-10-27-15/h8-9,13,15H,5-7,10-12H2,1-4H3
• InChIKey: YOFMNENKBZHFMK-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 90.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide?

The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide (CID 172657246) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide?

The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide is CCc1nnc(CN(C(=O)c2c(C)ccn(CC3CCCO3)c2=O)C(C)C)o1.

What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide?

The InChIKey is YOFMNENKBZHFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-5-16-21-22-17(28-16)12-24(13(2)3)20(26)18-14(4)8-9-23(19(18)25)11-15-7-6-10-27-15/h8-9,13,15H,5-7,10-12H2,1-4H3.

What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide?

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 172657246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).