5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine

C50H54N12O5S2 — CID 158723661

About 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine

5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine (PubChem CID 158723661) has the molecular formula C50H54N12O5S2 and a molecular weight of 967.20 g/mol. Its IUPAC name is 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

• Compound Name: 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine
• PubChem CID: 158723661
• Molecular Formula: C50H54N12O5S2
• Molecular Weight: 967.20 g/mol
• Exact Mass: 966.38
• IUPAC Name: 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine
• SMILES: CN1CCC(CN)(c2csc(-c3ccccc3)n2)CC1.Cc1nc(-c2cncc(C(=O)NCC3(c4csc(-c5ccccc5)n4)CCN(C)CC3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1
• InChI: InChI=1S/C25H26N6O2S.C16H21N3S.C9H7N3O3/c1-17-28-22(30-33-17)19-12-20(14-26-13-19)23(32)27-16-25(8-10-31(2)11-9-25)21-15-34-24(29-21)18-6-4-3-5-7-18;1-19-9-7-16(12-17,8-10-19)14-11-20-15(18-14)13-5-3-2-4-6-13;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h3-7,12-15H,8-11,16H2,1-2H3,(H,27,32);2-6,11H,7-10,12,17H2,1H3;2-4H,1H3,(H,13,14)
• InChIKey: IKFNPCNIFLGLDC-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 228.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.20
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine?

The IUPAC name of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine (CID 158723661) is 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine.

What is the SMILES notation for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine?

The canonical SMILES for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine is CN1CCC(CN)(c2csc(-c3ccccc3)n2)CC1.Cc1nc(-c2cncc(C(=O)NCC3(c4csc(-c5ccccc5)n4)CCN(C)CC3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1.

What is the InChIKey of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine?

The InChIKey is IKFNPCNIFLGLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S.C16H21N3S.C9H7N3O3/c1-17-28-22(30-33-17)19-12-20(14-26-13-19)23(32)27-16-25(8-10-31(2)11-9-25)21-15-34-24(29-21)18-6-4-3-5-7-18;1-19-9-7-16(12-17,8-10-19)14-11-20-15(18-14)13-5-3-2-4-6-13;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h3-7,12-15H,8-11,16H2,1-2H3,(H,27,32);2-6,11H,7-10,12,17H2,1H3;2-4H,1H3,(H,13,14).

What are the key properties of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine?

5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine has a molecular weight of 967.20 g/mol, XLogP of 7.83, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;[1-methyl-4-(2-phenyl-1,3-thiazol-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 158723661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).