N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

C19H29N5O3 — CID 51597946

About N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 51597946) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
• PubChem CID: 51597946
• Molecular Formula: C19H29N5O3
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.23
• IUPAC Name: N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
• SMILES: Cc1nn(C)c(C)c1CN(C)C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O
• InChI: InChI=1S/C19H29N5O3/c1-12-8-6-7-9-19(12)17(26)24(18(27)20-19)11-16(25)22(4)10-15-13(2)21-23(5)14(15)3/h12H,6-11H2,1-5H3,(H,20,27)/t12-,19-/m1/s1
• InChIKey: DSYWKUGCELLLFN-CWTRNNRKSA-N
• XLogP: 1.50
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?

The IUPAC name of N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 51597946) is N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

What is the SMILES notation for N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?

The canonical SMILES for N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(C)c(C)c1CN(C)C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O.

What is the InChIKey of N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?

The InChIKey is DSYWKUGCELLLFN-CWTRNNRKSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-12-8-6-7-9-19(12)17(26)24(18(27)20-19)11-16(25)22(4)10-15-13(2)21-23(5)14(15)3/h12H,6-11H2,1-5H3,(H,20,27)/t12-,19-/m1/s1.

What are the key properties of N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?

N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 51597946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).