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

C22H19N5O2 — CID 10500298

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

N-[4-[5-(2,4-dimethylanilino)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 10500298) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[4-[5-(2,4-dimethylanilino)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(2,4-dimethylanilino)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 10500298
• Molecular Formula: C22H19N5O2
• Molecular Weight: 385.43 g/mol
• Exact Mass: 385.15
• IUPAC Name: N-[4-[5-(2,4-dimethylanilino)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
• SMILES: Cc1ccc(Nc2nnc(-c3ccc(NC(=O)c4cccnc4)cc3)o2)c(C)c1
• InChI: InChI=1S/C22H19N5O2/c1-14-5-10-19(15(2)12-14)25-22-27-26-21(29-22)16-6-8-18(9-7-16)24-20(28)17-4-3-11-23-13-17/h3-13H,1-2H3,(H,24,28)(H,25,27)
• InChIKey: RJKAHLXQRRRTHJ-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.43
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-(2,4-dimethylanilino)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide (CID 10500298) is N-[4-[5-(2,4-dimethylanilino)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[4-[5-(2,4-dimethylanilino)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide is Cc1ccc(Nc2nnc(-c3ccc(NC(=O)c4cccnc4)cc3)o2)c(C)c1.

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

The InChIKey is RJKAHLXQRRRTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-14-5-10-19(15(2)12-14)25-22-27-26-21(29-22)16-6-8-18(9-7-16)24-20(28)17-4-3-11-23-13-17/h3-13H,1-2H3,(H,24,28)(H,25,27).

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

N-[4-[5-(2,4-dimethylanilino)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(2,4-dimethylanilino)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10500298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).