4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide

C18H26N6O3S — CID 172669382

About 4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide

4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide (PubChem CID 172669382) has the molecular formula C18H26N6O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 172669382
• Molecular Formula: C18H26N6O3S
• Molecular Weight: 406.51 g/mol
• Exact Mass: 406.18
• IUPAC Name: 4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
• SMILES: Cc1ccn(CCN2CCOCC2)c(=O)c1C(=O)NCCSc1nncn1C
• InChI: InChI=1S/C18H26N6O3S/c1-14-3-5-24(7-6-23-8-10-27-11-9-23)17(26)15(14)16(25)19-4-12-28-18-21-20-13-22(18)2/h3,5,13H,4,6-12H2,1-2H3,(H,19,25)
• InChIKey: RRVLIOBSNQSVNU-UHFFFAOYSA-N
• XLogP: 0.14
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.51
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of 4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide (CID 172669382) is 4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for 4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide is Cc1ccn(CCN2CCOCC2)c(=O)c1C(=O)NCCSc1nncn1C.

What is the InChIKey of 4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?

The InChIKey is RRVLIOBSNQSVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S/c1-14-3-5-24(7-6-23-8-10-27-11-9-23)17(26)15(14)16(25)19-4-12-28-18-21-20-13-22(18)2/h3,5,13H,4,6-12H2,1-2H3,(H,19,25).

What are the key properties of 4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide?

4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 0.14, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172669382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).