N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

C23H24FN3O2S — CID 47042281

About N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 47042281) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
• PubChem CID: 47042281
• Molecular Formula: C23H24FN3O2S
• Molecular Weight: 425.53 g/mol
• Exact Mass: 425.16
• IUPAC Name: N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
• SMILES: Cc1cc(CSc2ncccc2C(=O)NCC2(c3ccc(F)cc3)CCCC2)no1
• InChI: InChI=1S/C23H24FN3O2S/c1-16-13-19(27-29-16)14-30-22-20(5-4-12-25-22)21(28)26-15-23(10-2-3-11-23)17-6-8-18(24)9-7-17/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,26,28)
• InChIKey: HLAQRQCPJUCLII-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.53
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?

The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (CID 47042281) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?

The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)NCC2(c3ccc(F)cc3)CCCC2)no1.

What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?

The InChIKey is HLAQRQCPJUCLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-16-13-19(27-29-16)14-30-22-20(5-4-12-25-22)21(28)26-15-23(10-2-3-11-23)17-6-8-18(24)9-7-17/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,26,28).

What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 47042281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).