6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide

C22H26N4O2 — CID 52911401

About 6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide

6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide (PubChem CID 52911401) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
• PubChem CID: 52911401
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: 6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
• SMILES: Cc1cncc(N2CC[C@]3(CCC[C@@H](NC(=O)c4cccc(C)n4)C3)C2=O)c1
• InChI: InChI=1S/C22H26N4O2/c1-15-11-18(14-23-13-15)26-10-9-22(21(26)28)8-4-6-17(12-22)25-20(27)19-7-3-5-16(2)24-19/h3,5,7,11,13-14,17H,4,6,8-10,12H2,1-2H3,(H,25,27)/t17-,22+/m1/s1
• InChIKey: PTSZGSKHCCMELT-VGSWGCGISA-N
• XLogP: 3.19
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide?

The IUPAC name of 6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide (CID 52911401) is 6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide is Cc1cncc(N2CC[C@]3(CCC[C@@H](NC(=O)c4cccc(C)n4)C3)C2=O)c1.

What is the InChIKey of 6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide?

The InChIKey is PTSZGSKHCCMELT-VGSWGCGISA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-11-18(14-23-13-15)26-10-9-22(21(26)28)8-4-6-17(12-22)25-20(27)19-7-3-5-16(2)24-19/h3,5,7,11,13-14,17H,4,6,8-10,12H2,1-2H3,(H,25,27)/t17-,22+/m1/s1.

What are the key properties of 6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide?

6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52911401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).