6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid

C20H22N4O2 — CID 97434433

About 6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid

6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 97434433) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 97434433
• Molecular Formula: C20H22N4O2
• Molecular Weight: 350.42 g/mol
• Exact Mass: 350.17
• IUPAC Name: 6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid
• SMILES: Cc1ccc(C(=O)O)c(N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)n1
• InChI: InChI=1S/C20H22N4O2/c1-12-5-3-7-16-17(12)23-18(22-16)14-6-4-10-24(11-14)19-15(20(25)26)9-8-13(2)21-19/h3,5,7-9,14H,4,6,10-11H2,1-2H3,(H,22,23)(H,25,26)/t14-/m0/s1
• InChIKey: ZIMKPMPFBGJMBM-AWEZNQCLSA-N
• XLogP: 3.66
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.42
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 97434433) is 6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)n1.

What is the InChIKey of 6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid?

The InChIKey is ZIMKPMPFBGJMBM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-5-3-7-16-17(12)23-18(22-16)14-6-4-10-24(11-14)19-15(20(25)26)9-8-13(2)21-19/h3,5,7-9,14H,4,6,10-11H2,1-2H3,(H,22,23)(H,25,26)/t14-/m0/s1.

What are the key properties of 6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid?

6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 97434433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).