2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C32H28N10O5 — CID 129301573

About 2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 129301573) has the molecular formula C32H28N10O5 and a molecular weight of 632.64 g/mol. Its IUPAC name is 2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
• PubChem CID: 129301573
• Molecular Formula: C32H28N10O5
• Molecular Weight: 632.64 g/mol
• Exact Mass: 632.22
• IUPAC Name: 2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
• SMILES: Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccc(Oc4ccc(COCC(=O)Nc5n[nH]c(-c6ccccn6)n5)cc4)cn3)n2)c1
• InChI: InChI=1S/C32H28N10O5/c1-20-5-4-6-23(15-20)46-19-28(44)36-32-38-30(40-42-32)26-13-12-24(16-34-26)47-22-10-8-21(9-11-22)17-45-18-27(43)35-31-37-29(39-41-31)25-7-2-3-14-33-25/h2-16H,17-19H2,1H3,(H2,35,37,39,41,43)(H2,36,38,40,42,44)
• InChIKey: UHQWNHSJQPZXBW-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 194.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.64
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?

The IUPAC name of 2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 129301573) is 2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

What is the SMILES notation for 2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?

The canonical SMILES for 2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccc(Oc4ccc(COCC(=O)Nc5n[nH]c(-c6ccccn6)n5)cc4)cn3)n2)c1.

What is the InChIKey of 2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?

The InChIKey is UHQWNHSJQPZXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N10O5/c1-20-5-4-6-23(15-20)46-19-28(44)36-32-38-30(40-42-32)26-13-12-24(16-34-26)47-22-10-8-21(9-11-22)17-45-18-27(43)35-31-37-29(39-41-31)25-7-2-3-14-33-25/h2-16H,17-19H2,1H3,(H2,35,37,39,41,43)(H2,36,38,40,42,44).

What are the key properties of 2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?

2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 632.64 g/mol, XLogP of 4.32, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[6-[3-[[2-(3-methylphenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]oxy]phenyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 129301573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).