2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride

C44H45ClN10O7 — CID 157479013

About 2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride

2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride (PubChem CID 157479013) has the molecular formula C44H45ClN10O7 and a molecular weight of 861.36 g/mol. Its IUPAC name is 2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: 2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride
• PubChem CID: 157479013
• Molecular Formula: C44H45ClN10O7
• Molecular Weight: 861.36 g/mol
• Exact Mass: 860.32
• IUPAC Name: 2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride
• SMILES: C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1.Cc1nc(-c2ccccc2C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)no1.Cc1nc(-c2ccccc2C(=O)O)no1.Cl
• InChI: InChI=1S/C22H21N5O3.C12H15N3O.C10H8N2O3.ClH/c1-14-7-8-17(29-20-11-16(12-23)9-10-24-20)13-27(14)22(28)19-6-4-3-5-18(19)21-25-15(2)30-26-21;1-9-2-3-11(8-15-9)16-12-6-10(7-13)4-5-14-12;1-6-11-9(12-15-6)7-4-2-3-5-8(7)10(13)14;/h3-6,9-11,14,17H,7-8,13H2,1-2H3;4-6,9,11,15H,2-3,8H2,1H3;2-5H,1H3,(H,13,14);1H/t14-,17-;9-,11-;;/m11../s1
• InChIKey: XYXKWHRXJDXHGG-LOWXXOOISA-N
• XLogP: 7.02
• TPSA: 239.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	861.36
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride?

The IUPAC name of 2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride (CID 157479013) is 2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride.

What is the SMILES notation for 2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride?

The canonical SMILES for 2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride is C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1.Cc1nc(-c2ccccc2C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)no1.Cc1nc(-c2ccccc2C(=O)O)no1.Cl.

What is the InChIKey of 2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride?

The InChIKey is XYXKWHRXJDXHGG-LOWXXOOISA-N. The full InChI is InChI=1S/C22H21N5O3.C12H15N3O.C10H8N2O3.ClH/c1-14-7-8-17(29-20-11-16(12-23)9-10-24-20)13-27(14)22(28)19-6-4-3-5-18(19)21-25-15(2)30-26-21;1-9-2-3-11(8-15-9)16-12-6-10(7-13)4-5-14-12;1-6-11-9(12-15-6)7-4-2-3-5-8(7)10(13)14;/h3-6,9-11,14,17H,7-8,13H2,1-2H3;4-6,9,11,15H,2-3,8H2,1H3;2-5H,1H3,(H,13,14);1H/t14-,17-;9-,11-;;/m11../s1.

What are the key properties of 2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride?

2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride has a molecular weight of 861.36 g/mol, XLogP of 7.02, 8 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile;2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 157479013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).