N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

C22H32N4O3S — CID 55549254

About N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 55549254) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
• PubChem CID: 55549254
• Molecular Formula: C22H32N4O3S
• Molecular Weight: 432.59 g/mol
• Exact Mass: 432.22
• IUPAC Name: N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
• SMILES: CCC(CC)C(CNC(=O)c1cccnc1SCc1cc(C)on1)N1CCOCC1
• InChI: InChI=1S/C22H32N4O3S/c1-4-17(5-2)20(26-9-11-28-12-10-26)14-24-21(27)19-7-6-8-23-22(19)30-15-18-13-16(3)29-25-18/h6-8,13,17,20H,4-5,9-12,14-15H2,1-3H3,(H,24,27)
• InChIKey: DRRCEVBKFYLNDG-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.59
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (CID 55549254) is N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

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

The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is CCC(CC)C(CNC(=O)c1cccnc1SCc1cc(C)on1)N1CCOCC1.

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

The InChIKey is DRRCEVBKFYLNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-4-17(5-2)20(26-9-11-28-12-10-26)14-24-21(27)19-7-6-8-23-22(19)30-15-18-13-16(3)29-25-18/h6-8,13,17,20H,4-5,9-12,14-15H2,1-3H3,(H,24,27).

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

N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 55549254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).