4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide

C24H18Cl2N4O3S — CID 176892278

About 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide

4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 176892278) has the molecular formula C24H18Cl2N4O3S and a molecular weight of 513.41 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 176892278
• Molecular Formula: C24H18Cl2N4O3S
• Molecular Weight: 513.41 g/mol
• Exact Mass: 512.05
• IUPAC Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
• SMILES: COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1ncc(C(=O)Cc2ccc(Cl)cc2)s1
• InChI: InChI=1S/C24H18Cl2N4O3S/c1-13-7-16(17-9-22(26)28-11-20(17)33-2)18(10-27-13)23(32)30-24-29-12-21(34-24)19(31)8-14-3-5-15(25)6-4-14/h3-7,9-12H,8H2,1-2H3,(H,29,30,32)
• InChIKey: UDSDXYATOCAUBK-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.41
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
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 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 176892278) is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide is COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1ncc(C(=O)Cc2ccc(Cl)cc2)s1.

What is the InChIKey of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is UDSDXYATOCAUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O3S/c1-13-7-16(17-9-22(26)28-11-20(17)33-2)18(10-27-13)23(32)30-24-29-12-21(34-24)19(31)8-14-3-5-15(25)6-4-14/h3-7,9-12H,8H2,1-2H3,(H,29,30,32).

What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?

4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 513.41 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-(4-chlorophenyl)acetyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176892278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).