N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide

C23H28N6O3 — CID 91948480

About N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide

N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 91948480) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide
• PubChem CID: 91948480
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide
• SMILES: COc1ccc(-c2nonc2CNC(=O)c2cc(C(C)C)nc(N3CCCCC3)n2)cc1
• InChI: InChI=1S/C23H28N6O3/c1-15(2)18-13-19(26-23(25-18)29-11-5-4-6-12-29)22(30)24-14-20-21(28-32-27-20)16-7-9-17(31-3)10-8-16/h7-10,13,15H,4-6,11-12,14H2,1-3H3,(H,24,30)
• InChIKey: OWNHBGLCCYZCMV-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 106.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide?

The IUPAC name of N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide (CID 91948480) is N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide.

What is the SMILES notation for N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide?

The canonical SMILES for N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide is COc1ccc(-c2nonc2CNC(=O)c2cc(C(C)C)nc(N3CCCCC3)n2)cc1.

What is the InChIKey of N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide?

The InChIKey is OWNHBGLCCYZCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-15(2)18-13-19(26-23(25-18)29-11-5-4-6-12-29)22(30)24-14-20-21(28-32-27-20)16-7-9-17(31-3)10-8-16/h7-10,13,15H,4-6,11-12,14H2,1-3H3,(H,24,30).

What are the key properties of N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide?

N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]methyl]-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91948480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).