2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C22H26N6OS — CID 95834814

About 2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 95834814) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 95834814
• Molecular Formula: C22H26N6OS
• Molecular Weight: 422.56 g/mol
• Exact Mass: 422.19
• IUPAC Name: 2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
• SMILES: Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN(CC(=O)Nc3ncc(C)s3)C2)n1
• InChI: InChI=1S/C22H26N6OS/c1-15-10-18(26-20-7-3-4-8-23-20)11-19(25-15)17-6-5-9-28(13-17)14-21(29)27-22-24-12-16(2)30-22/h3-4,7-8,10-12,17H,5-6,9,13-14H2,1-2H3,(H,23,25,26)(H,24,27,29)/t17-/m1/s1
• InChIKey: GPYIJEHMAUGIND-QGZVFWFLSA-N
• XLogP: 4.11
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.56
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 95834814) is 2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN(CC(=O)Nc3ncc(C)s3)C2)n1.

What is the InChIKey of 2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is GPYIJEHMAUGIND-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-15-10-18(26-20-7-3-4-8-23-20)11-19(25-15)17-6-5-9-28(13-17)14-21(29)27-22-24-12-16(2)30-22/h3-4,7-8,10-12,17H,5-6,9,13-14H2,1-2H3,(H,23,25,26)(H,24,27,29)/t17-/m1/s1.

What are the key properties of 2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 422.56 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95834814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).