2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid

C20H25N5O2 — CID 95894828

About 2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid

2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 95894828) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 95894828
• Molecular Formula: C20H25N5O2
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.20
• IUPAC Name: 2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid
• SMILES: Cc1nc([C@@H]2CCCN(c3ncccc3C(=O)O)C2)cc(N2CCCC2)n1
• InChI: InChI=1S/C20H25N5O2/c1-14-22-17(12-18(23-14)24-9-2-3-10-24)15-6-5-11-25(13-15)19-16(20(26)27)7-4-8-21-19/h4,7-8,12,15H,2-3,5-6,9-11,13H2,1H3,(H,26,27)/t15-/m1/s1
• InChIKey: DLFLPYGZTDTQND-OAHLLOKOSA-N
• XLogP: 2.86
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 95894828) is 2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid is Cc1nc([C@@H]2CCCN(c3ncccc3C(=O)O)C2)cc(N2CCCC2)n1.

What is the InChIKey of 2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid?

The InChIKey is DLFLPYGZTDTQND-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-22-17(12-18(23-14)24-9-2-3-10-24)15-6-5-11-25(13-15)19-16(20(26)27)7-4-8-21-19/h4,7-8,12,15H,2-3,5-6,9-11,13H2,1H3,(H,26,27)/t15-/m1/s1.

What are the key properties of 2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid?

2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 95894828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).