1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C26H37N5O — CID 95813457

About 1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 95813457) has the molecular formula C26H37N5O and a molecular weight of 435.62 g/mol. Its IUPAC name is 1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
• PubChem CID: 95813457
• Molecular Formula: C26H37N5O
• Molecular Weight: 435.62 g/mol
• Exact Mass: 435.30
• IUPAC Name: 1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
• SMILES: Cc1cccnc1Nc1ccc([C@H]2CCCN2C(=O)CC2CC(C)(C)NC(C)(C)C2)nc1
• InChI: InChI=1S/C26H37N5O/c1-18-8-6-12-27-24(18)29-20-10-11-21(28-17-20)22-9-7-13-31(22)23(32)14-19-15-25(2,3)30-26(4,5)16-19/h6,8,10-12,17,19,22,30H,7,9,13-16H2,1-5H3,(H,27,29)/t22-/m1/s1
• InChIKey: IWGSORPFAXNRLZ-JOCHJYFZSA-N
• XLogP: 5.14
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.62
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?

The IUPAC name of 1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (CID 95813457) is 1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

What is the SMILES notation for 1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?

The canonical SMILES for 1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is Cc1cccnc1Nc1ccc([C@H]2CCCN2C(=O)CC2CC(C)(C)NC(C)(C)C2)nc1.

What is the InChIKey of 1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?

The InChIKey is IWGSORPFAXNRLZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H37N5O/c1-18-8-6-12-27-24(18)29-20-10-11-21(28-17-20)22-9-7-13-31(22)23(32)14-19-15-25(2,3)30-26(4,5)16-19/h6,8,10-12,17,19,22,30H,7,9,13-16H2,1-5H3,(H,27,29)/t22-/m1/s1.

What are the key properties of 1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?

1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 435.62 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 95813457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).