N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide

C27H29N5O6 — CID 137106193

About N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide

N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 137106193) has the molecular formula C27H29N5O6 and a molecular weight of 519.56 g/mol. Its IUPAC name is N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
• PubChem CID: 137106193
• Molecular Formula: C27H29N5O6
• Molecular Weight: 519.56 g/mol
• Exact Mass: 519.21
• IUPAC Name: N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
• SMILES: CCCCc1[nH]c(=O)c(-c2nnc(CN(C)C(=O)c3cccnc3)o2)c(O)c1-c1c(OC)cccc1OC
• InChI: InChI=1S/C27H29N5O6/c1-5-6-10-17-21(22-18(36-3)11-7-12-19(22)37-4)24(33)23(25(34)29-17)26-31-30-20(38-26)15-32(2)27(35)16-9-8-13-28-14-16/h7-9,11-14H,5-6,10,15H2,1-4H3,(H2,29,33,34)
• InChIKey: KBVCGLMZVIFQPN-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 143.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.56
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide?

The IUPAC name of N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide (CID 137106193) is N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide?

The canonical SMILES for N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide is CCCCc1[nH]c(=O)c(-c2nnc(CN(C)C(=O)c3cccnc3)o2)c(O)c1-c1c(OC)cccc1OC.

What is the InChIKey of N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide?

The InChIKey is KBVCGLMZVIFQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O6/c1-5-6-10-17-21(22-18(36-3)11-7-12-19(22)37-4)24(33)23(25(34)29-17)26-31-30-20(38-26)15-32(2)27(35)16-9-8-13-28-14-16/h7-9,11-14H,5-6,10,15H2,1-4H3,(H2,29,33,34).

What are the key properties of N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide?

N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 519.56 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 137106193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).