(2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide

C22H23N5O2S — CID 25280887

About (2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide

(2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide (PubChem CID 25280887) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is (2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
• PubChem CID: 25280887
• Molecular Formula: C22H23N5O2S
• Molecular Weight: 421.53 g/mol
• Exact Mass: 421.16
• IUPAC Name: (2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
• SMILES: Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)cn1
• InChI: InChI=1S/C22H23N5O2S/c1-14-9-10-17(13-23-14)22(29)27-11-4-3-8-19(27)20(28)24-18-7-5-6-16(12-18)21-26-25-15(2)30-21/h5-7,9-10,12-13,19H,3-4,8,11H2,1-2H3,(H,24,28)/t19-/m1/s1
• InChIKey: QXGXAGAHRGEYGK-LJQANCHMSA-N
• XLogP: 3.85
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.53
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide?

The IUPAC name of (2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide (CID 25280887) is (2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide.

What is the SMILES notation for (2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide?

The canonical SMILES for (2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide is Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)cn1.

What is the InChIKey of (2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide?

The InChIKey is QXGXAGAHRGEYGK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-14-9-10-17(13-23-14)22(29)27-11-4-3-8-19(27)20(28)24-18-7-5-6-16(12-18)21-26-25-15(2)30-21/h5-7,9-10,12-13,19H,3-4,8,11H2,1-2H3,(H,24,28)/t19-/m1/s1.

What are the key properties of (2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide?

(2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(6-methylpyridine-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 25280887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).