2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide

C21H25N5O2 — CID 52911567

About 2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide

2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide (PubChem CID 52911567) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
• PubChem CID: 52911567
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: 2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)N[C@@H]2CCC[C@]3(CCN(c4ccnc(C)n4)C3=O)C2)ccn1
• InChI: InChI=1S/C21H25N5O2/c1-14-12-16(5-9-22-14)19(27)25-17-4-3-7-21(13-17)8-11-26(20(21)28)18-6-10-23-15(2)24-18/h5-6,9-10,12,17H,3-4,7-8,11,13H2,1-2H3,(H,25,27)/t17-,21+/m1/s1
• InChIKey: AXDLMZCDLUGRNB-UTKZUKDTSA-N
• XLogP: 2.58
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide?

The IUPAC name of 2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide (CID 52911567) is 2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2CCC[C@]3(CCN(c4ccnc(C)n4)C3=O)C2)ccn1.

What is the InChIKey of 2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide?

The InChIKey is AXDLMZCDLUGRNB-UTKZUKDTSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-12-16(5-9-22-14)19(27)25-17-4-3-7-21(13-17)8-11-26(20(21)28)18-6-10-23-15(2)24-18/h5-6,9-10,12,17H,3-4,7-8,11,13H2,1-2H3,(H,25,27)/t17-,21+/m1/s1.

What are the key properties of 2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide?

2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide is sourced from PubChem (CID 52911567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).