2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide

C28H23N5O4 — CID 55838761

About 2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide

2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide (PubChem CID 55838761) has the molecular formula C28H23N5O4 and a molecular weight of 493.52 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
• PubChem CID: 55838761
• Molecular Formula: C28H23N5O4
• Molecular Weight: 493.52 g/mol
• Exact Mass: 493.18
• IUPAC Name: 2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
• SMILES: COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cc1
• InChI: InChI=1S/C28H23N5O4/c1-37-22-14-12-20(13-15-22)26(34)30-24-10-3-2-9-23(24)27(35)29-21-8-6-7-19(17-21)18-33-28(36)32-16-5-4-11-25(32)31-33/h2-17H,18H2,1H3,(H,29,35)(H,30,34)
• InChIKey: PPYIHFGRFCRJMP-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 106.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.52
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide?

The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide (CID 55838761) is 2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide.

What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide?

The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cc1.

What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide?

The InChIKey is PPYIHFGRFCRJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O4/c1-37-22-14-12-20(13-15-22)26(34)30-24-10-3-2-9-23(24)27(35)29-21-8-6-7-19(17-21)18-33-28(36)32-16-5-4-11-25(32)31-33/h2-17H,18H2,1H3,(H,29,35)(H,30,34).

What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide?

2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide has a molecular weight of 493.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 55838761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).