N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide

C25H21ClN6O6 — CID 165367029

About N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide

N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide (PubChem CID 165367029) has the molecular formula C25H21ClN6O6 and a molecular weight of 536.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide
• PubChem CID: 165367029
• Molecular Formula: C25H21ClN6O6
• Molecular Weight: 536.93 g/mol
• Exact Mass: 536.12
• IUPAC Name: N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide
• SMILES: COc1ccc(NC(=O)c2ccccc2C(=O)n2c(=O)n(C)n(C)c2=O)c(C(=O)Nc2ccc(Cl)cn2)c1
• InChI: InChI=1S/C25H21ClN6O6/c1-30-24(36)32(25(37)31(30)2)23(35)17-7-5-4-6-16(17)21(33)28-19-10-9-15(38-3)12-18(19)22(34)29-20-11-8-14(26)13-27-20/h4-13H,1-3H3,(H,28,33)(H,27,29,34)
• InChIKey: NBDBQTWOXVAYOB-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 146.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.93
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide (CID 165367029) is N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide is COc1ccc(NC(=O)c2ccccc2C(=O)n2c(=O)n(C)n(C)c2=O)c(C(=O)Nc2ccc(Cl)cn2)c1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide?

The InChIKey is NBDBQTWOXVAYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O6/c1-30-24(36)32(25(37)31(30)2)23(35)17-7-5-4-6-16(17)21(33)28-19-10-9-15(38-3)12-18(19)22(34)29-20-11-8-14(26)13-27-20/h4-13H,1-3H3,(H,28,33)(H,27,29,34).

What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide?

N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide has a molecular weight of 536.93 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide is sourced from PubChem (CID 165367029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).