N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide

C23H20ClF2N7O2 — CID 10458637

About N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide

N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide (PubChem CID 10458637) has the molecular formula C23H20ClF2N7O2 and a molecular weight of 499.91 g/mol. Its IUPAC name is N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide
• PubChem CID: 10458637
• Molecular Formula: C23H20ClF2N7O2
• Molecular Weight: 499.91 g/mol
• Exact Mass: 499.13
• IUPAC Name: N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide
• SMILES: O=C(Cc1ccc/c(=N\CC(F)(F)c2ccccn2)n1O)NCc1cc(Cl)ccc1-n1cncn1
• InChI: InChI=1S/C23H20ClF2N7O2/c24-17-7-8-19(32-15-27-14-31-32)16(10-17)12-29-22(34)11-18-4-3-6-21(33(18)35)30-13-23(25,26)20-5-1-2-9-28-20/h1-10,14-15,35H,11-13H2,(H,29,34)/b30-21+
• InChIKey: HMLZRUYBBOBBED-MWAVMZGNSA-N
• XLogP: 2.91
• TPSA: 110.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.91
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?

The IUPAC name of N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide (CID 10458637) is N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide.

What is the SMILES notation for N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?

The canonical SMILES for N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide is O=C(Cc1ccc/c(=N\CC(F)(F)c2ccccn2)n1O)NCc1cc(Cl)ccc1-n1cncn1.

What is the InChIKey of N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?

The InChIKey is HMLZRUYBBOBBED-MWAVMZGNSA-N. The full InChI is InChI=1S/C23H20ClF2N7O2/c24-17-7-8-19(32-15-27-14-31-32)16(10-17)12-29-22(34)11-18-4-3-6-21(33(18)35)30-13-23(25,26)20-5-1-2-9-28-20/h1-10,14-15,35H,11-13H2,(H,29,34)/b30-21+.

What are the key properties of N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?

N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide has a molecular weight of 499.91 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide is sourced from PubChem (CID 10458637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).