N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide

C24H19N5O4S — CID 162679127

About N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide

N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 162679127) has the molecular formula C24H19N5O4S and a molecular weight of 473.51 g/mol. Its IUPAC name is N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 162679127
• Molecular Formula: C24H19N5O4S
• Molecular Weight: 473.51 g/mol
• Exact Mass: 473.12
• IUPAC Name: N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
• SMILES: CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(=O)c4cccnc4)cc3)o2)cc1
• InChI: InChI=1S/C24H19N5O4S/c1-15(30)16-4-8-19(9-5-16)26-21(31)14-34-24-29-28-23(33-24)17-6-10-20(11-7-17)27-22(32)18-3-2-12-25-13-18/h2-13H,14H2,1H3,(H,26,31)(H,27,32)
• InChIKey: PQIWIPLSWVSKSA-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 127.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.51
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide (CID 162679127) is N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(=O)c4cccnc4)cc3)o2)cc1.

What is the InChIKey of N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide?

The InChIKey is PQIWIPLSWVSKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4S/c1-15(30)16-4-8-19(9-5-16)26-21(31)14-34-24-29-28-23(33-24)17-6-10-20(11-7-17)27-22(32)18-3-2-12-25-13-18/h2-13H,14H2,1H3,(H,26,31)(H,27,32).

What are the key properties of N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide?

N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 162679127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).