UM5

C₁₈H₁₉N₅O₂ — CID 155818570

About UM5

UM5 (PubChem CID 155818570) has the molecular formula C₁₈H₁₉N₅O₂ and a molecular weight of 337.38 g/mol. Its IUPAC name is N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: UM5
• PubChem CID: 155818570
• Molecular Formula: C₁₈H₁₉N₅O₂
• Molecular Weight: 337.38 g/mol
• Exact Mass: 337.15
• IUPAC Name: N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
• SMILES: CCNC(=O)c1ccc(OCc2ccccn2)c(-c2cn(C)nn2)c1
• InChI: InChI=1S/C18H19N5O2/c1-3-19-18(24)13-7-8-17(25-12-14-6-4-5-9-20-14)15(10-13)16-11-23(2)22-21-16/h4-11H,3,12H2,1-2H3,(H,19,24)
• InChIKey: PXCVJESJJFPBNT-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.38
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of UM5?

The IUPAC name of UM5 (CID 155818570) is N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide.

What is the SMILES notation for UM5?

The canonical SMILES for UM5 is CCNC(=O)c1ccc(OCc2ccccn2)c(-c2cn(C)nn2)c1.

What is the InChIKey of UM5?

The InChIKey is PXCVJESJJFPBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-3-19-18(24)13-7-8-17(25-12-14-6-4-5-9-20-14)15(10-13)16-11-23(2)22-21-16/h4-11H,3,12H2,1-2H3,(H,19,24).

What are the key properties of UM5?

UM5 has a molecular weight of 337.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for UM5 is sourced from PubChem (CID 155818570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155818570 — identifiers, structure, computed properties (public domain)

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