N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

C23H21ClN6O2S — CID 146282300

About N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 146282300) has the molecular formula C23H21ClN6O2S and a molecular weight of 480.98 g/mol. Its IUPAC name is N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
• PubChem CID: 146282300
• Molecular Formula: C23H21ClN6O2S
• Molecular Weight: 480.98 g/mol
• Exact Mass: 480.11
• IUPAC Name: N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
• SMILES: CCOc1ccc(-c2nnc(C3CC(NC(=O)c4ccccn4)C3)n2-c2ccc(Cl)s2)nc1
• InChI: InChI=1S/C23H21ClN6O2S/c1-2-32-16-6-7-17(26-13-16)22-29-28-21(30(22)20-9-8-19(24)33-20)14-11-15(12-14)27-23(31)18-5-3-4-10-25-18/h3-10,13-15H,2,11-12H2,1H3,(H,27,31)
• InChIKey: OMDFGKVCWJVPSP-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.98
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?

The IUPAC name of N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (CID 146282300) is N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?

The canonical SMILES for N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is CCOc1ccc(-c2nnc(C3CC(NC(=O)c4ccccn4)C3)n2-c2ccc(Cl)s2)nc1.

What is the InChIKey of N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?

The InChIKey is OMDFGKVCWJVPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O2S/c1-2-32-16-6-7-17(26-13-16)22-29-28-21(30(22)20-9-8-19(24)33-20)14-11-15(12-14)27-23(31)18-5-3-4-10-25-18/h3-10,13-15H,2,11-12H2,1H3,(H,27,31).

What are the key properties of N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?

N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 480.98 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(5-chlorothiophen-2-yl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 146282300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).