6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide

C26H29N5O3 — CID 124945798

About 6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide

6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 124945798) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
• PubChem CID: 124945798
• Molecular Formula: C26H29N5O3
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.23
• IUPAC Name: 6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)COc3cccc(N(C)C)c3)n2)nc1
• InChI: InChI=1S/C26H29N5O3/c1-18-12-13-24(27-16-18)29-26(33)22-10-5-9-21(28-22)23-11-6-14-31(23)25(32)17-34-20-8-4-7-19(15-20)30(2)3/h4-5,7-10,12-13,15-16,23H,6,11,14,17H2,1-3H3,(H,27,29,33)/t23-/m1/s1
• InChIKey: BTQFLFRRWFLYRD-HSZRJFAPSA-N
• XLogP: 3.85
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?

The IUPAC name of 6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 124945798) is 6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide.

What is the SMILES notation for 6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?

The canonical SMILES for 6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)COc3cccc(N(C)C)c3)n2)nc1.

What is the InChIKey of 6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?

The InChIKey is BTQFLFRRWFLYRD-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-18-12-13-24(27-16-18)29-26(33)22-10-5-9-21(28-22)23-11-6-14-31(23)25(32)17-34-20-8-4-7-19(15-20)30(2)3/h4-5,7-10,12-13,15-16,23H,6,11,14,17H2,1-3H3,(H,27,29,33)/t23-/m1/s1.

What are the key properties of 6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide?

6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 124945798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).