3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide

C17H23N5O2 — CID 95199898

About 3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide

3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 95199898) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 95199898
• Molecular Formula: C17H23N5O2
• Molecular Weight: 329.40 g/mol
• Exact Mass: 329.19
• IUPAC Name: 3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide
• SMILES: Cc1ncc(CN2CCC[C@H](CNC(=O)c3ncccc3O)C2)[nH]1
• InChI: InChI=1S/C17H23N5O2/c1-12-19-9-14(21-12)11-22-7-3-4-13(10-22)8-20-17(24)16-15(23)5-2-6-18-16/h2,5-6,9,13,23H,3-4,7-8,10-11H2,1H3,(H,19,21)(H,20,24)/t13-/m1/s1
• InChIKey: HZIHMBJRVXMPSD-CYBMUJFWSA-N
• XLogP: 1.46
• TPSA: 94.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.40
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of 3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide (CID 95199898) is 3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide is Cc1ncc(CN2CCC[C@H](CNC(=O)c3ncccc3O)C2)[nH]1.

What is the InChIKey of 3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide?

The InChIKey is HZIHMBJRVXMPSD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-19-9-14(21-12)11-22-7-3-4-13(10-22)8-20-17(24)16-15(23)5-2-6-18-16/h2,5-6,9,13,23H,3-4,7-8,10-11H2,1H3,(H,19,21)(H,20,24)/t13-/m1/s1.

What are the key properties of 3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide?

3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 95199898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).