2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide

C22H23ClN6O3S — CID 177210932

About 2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide

2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide (PubChem CID 177210932) has the molecular formula C22H23ClN6O3S and a molecular weight of 486.99 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide
• PubChem CID: 177210932
• Molecular Formula: C22H23ClN6O3S
• Molecular Weight: 486.99 g/mol
• Exact Mass: 486.12
• IUPAC Name: 2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide
• SMILES: CNC(=O)c1cc(Cl)ncc1NC(=O)C1(c2ccccc2C(C)C)CN(c2n[nH]c(=O)s2)C1
• InChI: InChI=1S/C22H23ClN6O3S/c1-12(2)13-6-4-5-7-15(13)22(10-29(11-22)20-27-28-21(32)33-20)19(31)26-16-9-25-17(23)8-14(16)18(30)24-3/h4-9,12H,10-11H2,1-3H3,(H,24,30)(H,26,31)(H,28,32)
• InChIKey: UEIXINXRQSLRLF-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 120.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.99
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide?

The IUPAC name of 2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide (CID 177210932) is 2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide.

What is the SMILES notation for 2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide?

The canonical SMILES for 2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide is CNC(=O)c1cc(Cl)ncc1NC(=O)C1(c2ccccc2C(C)C)CN(c2n[nH]c(=O)s2)C1.

What is the InChIKey of 2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide?

The InChIKey is UEIXINXRQSLRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O3S/c1-12(2)13-6-4-5-7-15(13)22(10-29(11-22)20-27-28-21(32)33-20)19(31)26-16-9-25-17(23)8-14(16)18(30)24-3/h4-9,12H,10-11H2,1-3H3,(H,24,30)(H,26,31)(H,28,32).

What are the key properties of 2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide?

2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide has a molecular weight of 486.99 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-methyl-5-[[1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 177210932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).