5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide

C26H32N6O2S — CID 118115182

About 5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide

5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide (PubChem CID 118115182) has the molecular formula C26H32N6O2S and a molecular weight of 492.65 g/mol. Its IUPAC name is 5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide
• PubChem CID: 118115182
• Molecular Formula: C26H32N6O2S
• Molecular Weight: 492.65 g/mol
• Exact Mass: 492.23
• IUPAC Name: 5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide
• SMILES: Cc1cc(Nc2cc(N3CCC[C@@H](NC(=O)c4ccc(C(C)(C)C)cc4)C3)cnc2C(N)=O)sn1
• InChI: InChI=1S/C26H32N6O2S/c1-16-12-22(35-31-16)30-21-13-20(14-28-23(21)24(27)33)32-11-5-6-19(15-32)29-25(34)17-7-9-18(10-8-17)26(2,3)4/h7-10,12-14,19,30H,5-6,11,15H2,1-4H3,(H2,27,33)(H,29,34)/t19-/m1/s1
• InChIKey: UWYCZKRBOLCYLN-LJQANCHMSA-N
• XLogP: 4.39
• TPSA: 113.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.65
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide?

The IUPAC name of 5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide (CID 118115182) is 5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide.

What is the SMILES notation for 5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide?

The canonical SMILES for 5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide is Cc1cc(Nc2cc(N3CCC[C@@H](NC(=O)c4ccc(C(C)(C)C)cc4)C3)cnc2C(N)=O)sn1.

What is the InChIKey of 5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide?

The InChIKey is UWYCZKRBOLCYLN-LJQANCHMSA-N. The full InChI is InChI=1S/C26H32N6O2S/c1-16-12-22(35-31-16)30-21-13-20(14-28-23(21)24(27)33)32-11-5-6-19(15-32)29-25(34)17-7-9-18(10-8-17)26(2,3)4/h7-10,12-14,19,30H,5-6,11,15H2,1-4H3,(H2,27,33)(H,29,34)/t19-/m1/s1.

What are the key properties of 5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide?

5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 118115182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).