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

C32H29N7O6 — CID 157393524

IUPAC2-[(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
SMILESCc1nc(-c2ccccc2C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)no1.Cc1nc(-c2ccccc2C(=O)O)no1
InChIInChI=1S/C22H21N5O3.C10H8N2O3/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;1-6-11-9(12-15-6)7-4-2-3-5-8(7)10(13)14/h3-6,9-11,14,17H,7-8,13H2,1-2H3;2-5H,1H3,(H,13,14)/t14-,17-;/m1./s1
InChIKeyBMHKASVONPTPNF-SATBOSKTSA-N
MW607.63 g/mol
LogP5.13
Rot. Bonds6

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-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 (PubChem CID 157393524) has the molecular formula C32H29N7O6 and a molecular weight of 607.63 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.

Molecular Properties

Compound Name2-[(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
PubChem CID157393524
Molecular FormulaC32H29N7O6
Molecular Weight607.63 g/mol
Exact Mass607.22
IUPAC Name2-[(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
SMILESCc1nc(-c2ccccc2C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)no1.Cc1nc(-c2ccccc2C(=O)O)no1
InChIInChI=1S/C22H21N5O3.C10H8N2O3/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;1-6-11-9(12-15-6)7-4-2-3-5-8(7)10(13)14/h3-6,9-11,14,17H,7-8,13H2,1-2H3;2-5H,1H3,(H,13,14)/t14-,17-;/m1./s1
InChIKeyBMHKASVONPTPNF-SATBOSKTSA-N
XLogP5.13
TPSA181.36 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500607.63
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
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 (CID 157393524) 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.
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?
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 is Cc1nc(-c2ccccc2C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)no1.Cc1nc(-c2ccccc2C(=O)O)no1.
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?
The InChIKey is BMHKASVONPTPNF-SATBOSKTSA-N. The full InChI is InChI=1S/C22H21N5O3.C10H8N2O3/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;1-6-11-9(12-15-6)7-4-2-3-5-8(7)10(13)14/h3-6,9-11,14,17H,7-8,13H2,1-2H3;2-5H,1H3,(H,13,14)/t14-,17-;/m1./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-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 has a molecular weight of 607.63 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 11 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 is sourced from PubChem (CID 157393524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).