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

C23H23N5O3 — CID 74222939

IUPAC3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
SMILESCc1noc(-c2ccccc2C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)n1
InChIInChI=1S/C23H23N5O3/c1-14-8-9-18(30-21-15(2)17(12-24)10-11-25-21)13-28(14)23(29)20-7-5-4-6-19(20)22-26-16(3)27-31-22/h4-7,10-11,14,18H,8-9,13H2,1-3H3/t14-,18-/m1/s1
InChIKeyMKWHRZOBGHNYQP-RDTXWAMCSA-N
MW417.47 g/mol
LogP3.69
Rot. Bonds4

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

3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 74222939) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID74222939
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
SMILESCc1noc(-c2ccccc2C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)n1
InChIInChI=1S/C23H23N5O3/c1-14-8-9-18(30-21-15(2)17(12-24)10-11-25-21)13-28(14)23(29)20-7-5-4-6-19(20)22-26-16(3)27-31-22/h4-7,10-11,14,18H,8-9,13H2,1-3H3/t14-,18-/m1/s1
InChIKeyMKWHRZOBGHNYQP-RDTXWAMCSA-N
XLogP3.69
TPSA105.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile (CID 74222939) is 3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile is Cc1noc(-c2ccccc2C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)n1.
What is the InChIKey of 3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is MKWHRZOBGHNYQP-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14-8-9-18(30-21-15(2)17(12-24)10-11-25-21)13-28(14)23(29)20-7-5-4-6-19(20)22-26-16(3)27-31-22/h4-7,10-11,14,18H,8-9,13H2,1-3H3/t14-,18-/m1/s1.
What are the key properties of 3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile?
3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 417.47 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3R,6R)-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 74222939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).