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

C21H17ClF2N6O2 — CID 24765163

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

N-[(5-chloro-3-pyridinyl)methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide (PubChem CID 24765163) has the molecular formula C21H17ClF2N6O2 and a molecular weight of 458.86 g/mol. Its IUPAC name is N-[(5-chloro-3-pyridinyl)methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[(5-chloro-3-pyridinyl)methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide
• PubChem CID: 24765163
• Molecular Formula: C21H17ClF2N6O2
• Molecular Weight: 458.86 g/mol
• Exact Mass: 458.11
• IUPAC Name: N-[(5-chloro-3-pyridinyl)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)NCc1cncc(Cl)c1
• InChI: InChI=1S/C21H17ClF2N6O2/c22-16-7-14(10-26-12-16)11-28-20(31)8-17-15(9-25)4-5-19(30(17)32)29-13-21(23,24)18-3-1-2-6-27-18/h1-7,10,12,32H,8,11,13H2,(H,28,31)/b29-19+
• InChIKey: WWGQJPOQWCOVJN-VUTHCHCSSA-N
• XLogP: 2.59
• TPSA: 116.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.86
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
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-[(5-chloro-3-pyridinyl)methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?

The IUPAC name of N-[(5-chloro-3-pyridinyl)methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide (CID 24765163) is N-[(5-chloro-3-pyridinyl)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-[(5-chloro-3-pyridinyl)methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?

The canonical SMILES for N-[(5-chloro-3-pyridinyl)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)NCc1cncc(Cl)c1.

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

The InChIKey is WWGQJPOQWCOVJN-VUTHCHCSSA-N. The full InChI is InChI=1S/C21H17ClF2N6O2/c22-16-7-14(10-26-12-16)11-28-20(31)8-17-15(9-25)4-5-19(30(17)32)29-13-21(23,24)18-3-1-2-6-27-18/h1-7,10,12,32H,8,11,13H2,(H,28,31)/b29-19+.

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

N-[(5-chloro-3-pyridinyl)methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide has a molecular weight of 458.86 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-3-pyridinyl)methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide is sourced from PubChem (CID 24765163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).