N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide

C23H19ClN4O4S — CID 155342632

About N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide

N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 155342632) has the molecular formula C23H19ClN4O4S and a molecular weight of 482.95 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide
• PubChem CID: 155342632
• Molecular Formula: C23H19ClN4O4S
• Molecular Weight: 482.95 g/mol
• Exact Mass: 482.08
• IUPAC Name: N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide
• SMILES: COc1cc(C(=O)Nc2nnc(OCc3ccc(Cl)cc3)s2)c(-c2ccccc2OC)cn1
• InChI: InChI=1S/C23H19ClN4O4S/c1-30-19-6-4-3-5-16(19)18-12-25-20(31-2)11-17(18)21(29)26-22-27-28-23(33-22)32-13-14-7-9-15(24)10-8-14/h3-12H,13H2,1-2H3,(H,26,27,29)
• InChIKey: UEFXXIZSEDNFOD-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 95.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.95
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide?

The IUPAC name of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide (CID 155342632) is N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide?

The canonical SMILES for N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide is COc1cc(C(=O)Nc2nnc(OCc3ccc(Cl)cc3)s2)c(-c2ccccc2OC)cn1.

What is the InChIKey of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide?

The InChIKey is UEFXXIZSEDNFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4S/c1-30-19-6-4-3-5-16(19)18-12-25-20(31-2)11-17(18)21(29)26-22-27-28-23(33-22)32-13-14-7-9-15(24)10-8-14/h3-12H,13H2,1-2H3,(H,26,27,29).

What are the key properties of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide?

N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 482.95 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 155342632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).