N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide

C23H21ClF2N6O2 — CID 10074165

About N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide

N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide (PubChem CID 10074165) has the molecular formula C23H21ClF2N6O2 and a molecular weight of 486.91 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide
• PubChem CID: 10074165
• Molecular Formula: C23H21ClF2N6O2
• Molecular Weight: 486.91 g/mol
• Exact Mass: 486.14
• IUPAC Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide
• SMILES: N#Cc1cc/c(=N\CC(F)(F)c2ccccn2)n(O)c1CC(=O)NCc1cc(Cl)ccc1CN
• InChI: InChI=1S/C23H21ClF2N6O2/c24-18-6-4-15(11-27)17(9-18)13-30-22(33)10-19-16(12-28)5-7-21(32(19)34)31-14-23(25,26)20-3-1-2-8-29-20/h1-9,34H,10-11,13-14,27H2,(H,30,33)/b31-21+
• InChIKey: DSUKJUJXPQMPKK-NJZRLIGZSA-N
• XLogP: 2.66
• TPSA: 129.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.91
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?

The IUPAC name of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide (CID 10074165) is N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide.

What is the SMILES notation for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?

The canonical SMILES for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide is N#Cc1cc/c(=N\CC(F)(F)c2ccccn2)n(O)c1CC(=O)NCc1cc(Cl)ccc1CN.

What is the InChIKey of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?

The InChIKey is DSUKJUJXPQMPKK-NJZRLIGZSA-N. The full InChI is InChI=1S/C23H21ClF2N6O2/c24-18-6-4-15(11-27)17(9-18)13-30-22(33)10-19-16(12-28)5-7-21(32(19)34)31-14-23(25,26)20-3-1-2-8-29-20/h1-9,34H,10-11,13-14,27H2,(H,30,33)/b31-21+.

What are the key properties of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?

N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide has a molecular weight of 486.91 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide is sourced from PubChem (CID 10074165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).