2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C24H29N5O5 — CID 18567001

About 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 18567001) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 18567001
• Molecular Formula: C24H29N5O5
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.22
• IUPAC Name: 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3cc(C)on3)CC2)cc1
• InChI: InChI=1S/C24H29N5O5/c1-17-12-23(26-34-17)25-24(31)16-29-15-22(33-3)21(30)13-19(29)14-27-8-10-28(11-9-27)18-4-6-20(32-2)7-5-18/h4-7,12-13,15H,8-11,14,16H2,1-3H3,(H,25,26,31)
• InChIKey: KRBGZQUDQAPDBL-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 102.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 18567001) is 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3cc(C)on3)CC2)cc1.

What is the InChIKey of 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is KRBGZQUDQAPDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-17-12-23(26-34-17)25-24(31)16-29-15-22(33-3)21(30)13-19(29)14-27-8-10-28(11-9-27)18-4-6-20(32-2)7-5-18/h4-7,12-13,15H,8-11,14,16H2,1-3H3,(H,25,26,31).

What are the key properties of 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 467.53 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 18567001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).