2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

C22H26N6O3 — CID 46961231

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 46961231) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 46961231
• Molecular Formula: C22H26N6O3
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.21
• IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)NCc2noc(-c3ccccc3)n2)c(N2CCN(CCO)CC2)n1
• InChI: InChI=1S/C22H26N6O3/c1-16-7-8-18(20(24-16)28-11-9-27(10-12-28)13-14-29)21(30)23-15-19-25-22(31-26-19)17-5-3-2-4-6-17/h2-8,29H,9-15H2,1H3,(H,23,30)
• InChIKey: RUDRSXPPCPQRRG-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 107.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?

The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (CID 46961231) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2noc(-c3ccccc3)n2)c(N2CCN(CCO)CC2)n1.

What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?

The InChIKey is RUDRSXPPCPQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-16-7-8-18(20(24-16)28-11-9-27(10-12-28)13-14-29)21(30)23-15-19-25-22(31-26-19)17-5-3-2-4-6-17/h2-8,29H,9-15H2,1H3,(H,23,30).

What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?

2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 46961231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).