2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide

C26H37N7O3 — CID 70823911

About 2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide

2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 70823911) has the molecular formula C26H37N7O3 and a molecular weight of 495.63 g/mol. Its IUPAC name is 2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide
• PubChem CID: 70823911
• Molecular Formula: C26H37N7O3
• Molecular Weight: 495.63 g/mol
• Exact Mass: 495.30
• IUPAC Name: 2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide
• SMILES: Cc1nnc(C2CNCC(N(CC(C)C)C(=O)c3cnc(C(C)(C)C)nc3NCc3ccco3)C2)o1
• InChI: InChI=1S/C26H37N7O3/c1-16(2)15-33(19-10-18(11-27-12-19)23-32-31-17(3)36-23)24(34)21-14-29-25(26(4,5)6)30-22(21)28-13-20-8-7-9-35-20/h7-9,14,16,18-19,27H,10-13,15H2,1-6H3,(H,28,29,30)
• InChIKey: XVGDVJBRFNBHIV-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 122.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide?

The IUPAC name of 2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 70823911) is 2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide.

What is the SMILES notation for 2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide?

The canonical SMILES for 2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide is Cc1nnc(C2CNCC(N(CC(C)C)C(=O)c3cnc(C(C)(C)C)nc3NCc3ccco3)C2)o1.

What is the InChIKey of 2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide?

The InChIKey is XVGDVJBRFNBHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O3/c1-16(2)15-33(19-10-18(11-27-12-19)23-32-31-17(3)36-23)24(34)21-14-29-25(26(4,5)6)30-22(21)28-13-20-8-7-9-35-20/h7-9,14,16,18-19,27H,10-13,15H2,1-6H3,(H,28,29,30).

What are the key properties of 2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide?

2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 70823911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).