5-(5-chloro-2-methoxyphenyl)-N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide

C24H18ClN5O4S — CID 172610294

About 5-(5-chloro-2-methoxyphenyl)-N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide

5-(5-chloro-2-methoxyphenyl)-N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 172610294) has the molecular formula C24H18ClN5O4S and a molecular weight of 507.96 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

• Compound Name: 5-(5-chloro-2-methoxyphenyl)-N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
• PubChem CID: 172610294
• Molecular Formula: C24H18ClN5O4S
• Molecular Weight: 507.96 g/mol
• Exact Mass: 507.08
• IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
• SMILES: COc1ccc(Cl)cc1-c1cn(C)c(=O)cc1C(=O)Nc1nnc(OCc2ccc(C#N)cc2)s1
• InChI: InChI=1S/C24H18ClN5O4S/c1-30-12-19(17-9-16(25)7-8-20(17)33-2)18(10-21(30)31)22(32)27-23-28-29-24(35-23)34-13-15-5-3-14(11-26)4-6-15/h3-10,12H,13H2,1-2H3,(H,27,28,32)
• InChIKey: MKJIIRVVKJWKMY-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 119.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.96
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide (CID 172610294) is 5-(5-chloro-2-methoxyphenyl)-N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide.

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

The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide is COc1ccc(Cl)cc1-c1cn(C)c(=O)cc1C(=O)Nc1nnc(OCc2ccc(C#N)cc2)s1.

What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?

The InChIKey is MKJIIRVVKJWKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O4S/c1-30-12-19(17-9-16(25)7-8-20(17)33-2)18(10-21(30)31)22(32)27-23-28-29-24(35-23)34-13-15-5-3-14(11-26)4-6-15/h3-10,12H,13H2,1-2H3,(H,27,28,32).

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

5-(5-chloro-2-methoxyphenyl)-N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 507.96 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chloro-2-methoxyphenyl)-N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 172610294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).