6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid

C17H22N4O3 — CID 99928460

About 6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid

6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 99928460) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
• PubChem CID: 99928460
• Molecular Formula: C17H22N4O3
• Molecular Weight: 330.39 g/mol
• Exact Mass: 330.17
• IUPAC Name: 6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
• SMILES: Cn1ccnc1[C@@H](O)C1CCN(Cc2cccc(C(=O)O)n2)CC1
• InChI: InChI=1S/C17H22N4O3/c1-20-10-7-18-16(20)15(22)12-5-8-21(9-6-12)11-13-3-2-4-14(19-13)17(23)24/h2-4,7,10,12,15,22H,5-6,8-9,11H2,1H3,(H,23,24)/t15-/m0/s1
• InChIKey: ANFJJWLUYMXMPR-HNNXBMFYSA-N
• XLogP: 1.46
• TPSA: 91.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.39
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid (CID 99928460) is 6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid.

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

The canonical SMILES for 6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid is Cn1ccnc1[C@@H](O)C1CCN(Cc2cccc(C(=O)O)n2)CC1.

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

The InChIKey is ANFJJWLUYMXMPR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20-10-7-18-16(20)15(22)12-5-8-21(9-6-12)11-13-3-2-4-14(19-13)17(23)24/h2-4,7,10,12,15,22H,5-6,8-9,11H2,1H3,(H,23,24)/t15-/m0/s1.

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

6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 99928460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).