N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide

C28H32N6O3S — CID 3686790

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide (PubChem CID 3686790) has the molecular formula C28H32N6O3S and a molecular weight of 532.67 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 3686790
• Molecular Formula: C28H32N6O3S
• Molecular Weight: 532.67 g/mol
• Exact Mass: 532.23
• IUPAC Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
• SMILES: COc1ccc2[nH]c(C(=O)N3CCC(c4nc(C)ccc4C(=O)Nc4nnc(C(C)(C)C)s4)CC3)cc2c1
• InChI: InChI=1S/C28H32N6O3S/c1-16-6-8-20(24(35)31-27-33-32-26(38-27)28(2,3)4)23(29-16)17-10-12-34(13-11-17)25(36)22-15-18-14-19(37-5)7-9-21(18)30-22/h6-9,14-15,17,30H,10-13H2,1-5H3,(H,31,33,35)
• InChIKey: VMTYMTCWJMPSEJ-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.67
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide (CID 3686790) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide is COc1ccc2[nH]c(C(=O)N3CCC(c4nc(C)ccc4C(=O)Nc4nnc(C(C)(C)C)s4)CC3)cc2c1.

What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is VMTYMTCWJMPSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3S/c1-16-6-8-20(24(35)31-27-33-32-26(38-27)28(2,3)4)23(29-16)17-10-12-34(13-11-17)25(36)22-15-18-14-19(37-5)7-9-21(18)30-22/h6-9,14-15,17,30H,10-13H2,1-5H3,(H,31,33,35).

What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 532.67 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 3686790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).