N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide

C20H31N5O2 — CID 70712072

About N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide

N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide (PubChem CID 70712072) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide
• PubChem CID: 70712072
• Molecular Formula: C20H31N5O2
• Molecular Weight: 373.50 g/mol
• Exact Mass: 373.25
• IUPAC Name: N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide
• SMILES: Cc1cnc(CN2CC3(CCC2=O)CCN(C(C)C(=O)N(C)C)CC3)cn1
• InChI: InChI=1S/C20H31N5O2/c1-15-11-22-17(12-21-15)13-25-14-20(6-5-18(25)26)7-9-24(10-8-20)16(2)19(27)23(3)4/h11-12,16H,5-10,13-14H2,1-4H3
• InChIKey: WRPWIYWCBQRXJP-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.50
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide?

The IUPAC name of N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide (CID 70712072) is N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide.

What is the SMILES notation for N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide?

The canonical SMILES for N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide is Cc1cnc(CN2CC3(CCC2=O)CCN(C(C)C(=O)N(C)C)CC3)cn1.

What is the InChIKey of N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide?

The InChIKey is WRPWIYWCBQRXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-15-11-22-17(12-21-15)13-25-14-20(6-5-18(25)26)7-9-24(10-8-20)16(2)19(27)23(3)4/h11-12,16H,5-10,13-14H2,1-4H3.

What are the key properties of N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide?

N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide has a molecular weight of 373.50 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide is sourced from PubChem (CID 70712072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).