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

C27H28N4O6 — CID 137106247

IUPACN-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCCCCc1[nH]c(=O)c(-c2nnc(CNC(=O)c3ccccc3)o2)c(O)c1-c1cc(OC)ccc1OC
InChIInChI=1S/C27H28N4O6/c1-4-5-11-19-22(18-14-17(35-2)12-13-20(18)36-3)24(32)23(26(34)29-19)27-31-30-21(37-27)15-28-25(33)16-9-7-6-8-10-16/h6-10,12-14H,4-5,11,15H2,1-3H3,(H,28,33)(H2,29,32,34)
InChIKeyNQSBJRKBRCNKKM-UHFFFAOYSA-N
MW504.54 g/mol
LogP4.09
Rot. Bonds10

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

N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 137106247) has the molecular formula C27H28N4O6 and a molecular weight of 504.54 g/mol. Its IUPAC name is N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID137106247
Molecular FormulaC27H28N4O6
Molecular Weight504.54 g/mol
Exact Mass504.20
IUPAC NameN-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCCCCc1[nH]c(=O)c(-c2nnc(CNC(=O)c3ccccc3)o2)c(O)c1-c1cc(OC)ccc1OC
InChIInChI=1S/C27H28N4O6/c1-4-5-11-19-22(18-14-17(35-2)12-13-20(18)36-3)24(32)23(26(34)29-19)27-31-30-21(37-27)15-28-25(33)16-9-7-6-8-10-16/h6-10,12-14H,4-5,11,15H2,1-3H3,(H,28,33)(H2,29,32,34)
InChIKeyNQSBJRKBRCNKKM-UHFFFAOYSA-N
XLogP4.09
TPSA139.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide with MolForge

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Related Compounds

6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 137304670
2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 137106234
6-butyl-3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106228
N-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-4H-pyrazol-3-yl]methyl]benzamide
CID 145200726
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 137106373
2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 137106330
6-butyl-5-(2,6-dimethoxyphenyl)-3-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-pyridin-2-one
CID 137106140
6-butyl-3-[5-[(4-chloro-2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106302
6-butyl-3-[5-[2-(4-chlorophenyl)-2-methylpropyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106225
3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319255
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
3-[[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-oxazolidin-2-one
CID 137106288

Frequently Asked Questions

What is the IUPAC name of N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 137106247) is N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide is CCCCc1[nH]c(=O)c(-c2nnc(CNC(=O)c3ccccc3)o2)c(O)c1-c1cc(OC)ccc1OC.
What is the InChIKey of N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is NQSBJRKBRCNKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O6/c1-4-5-11-19-22(18-14-17(35-2)12-13-20(18)36-3)24(32)23(26(34)29-19)27-31-30-21(37-27)15-28-25(33)16-9-7-6-8-10-16/h6-10,12-14H,4-5,11,15H2,1-3H3,(H,28,33)(H2,29,32,34).
What are the key properties of N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 504.54 g/mol, XLogP of 4.09, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[6-butyl-5-(2,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 137106247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).