N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide

C16H25N5O — CID 97484544

IUPACN-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide
SMILESCNC(=O)CN1CCC2(CCCN(c3cnccn3)C2)CC1
InChIInChI=1S/C16H25N5O/c1-17-15(22)12-20-9-4-16(5-10-20)3-2-8-21(13-16)14-11-18-6-7-19-14/h6-7,11H,2-5,8-10,12-13H2,1H3,(H,17,22)
InChIKeyDMUBANVQHOFRID-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide

N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide (PubChem CID 97484544) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide
PubChem CID97484544
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide
SMILESCNC(=O)CN1CCC2(CCCN(c3cnccn3)C2)CC1
InChIInChI=1S/C16H25N5O/c1-17-15(22)12-20-9-4-16(5-10-20)3-2-8-21(13-16)14-11-18-6-7-19-14/h6-7,11H,2-5,8-10,12-13H2,1H3,(H,17,22)
InChIKeyDMUBANVQHOFRID-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide?
The IUPAC name of N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide (CID 97484544) is N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide.
What is the SMILES notation for N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide?
The canonical SMILES for N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide is CNC(=O)CN1CCC2(CCCN(c3cnccn3)C2)CC1.
What is the InChIKey of N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide?
The InChIKey is DMUBANVQHOFRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-17-15(22)12-20-9-4-16(5-10-20)3-2-8-21(13-16)14-11-18-6-7-19-14/h6-7,11H,2-5,8-10,12-13H2,1H3,(H,17,22).
What are the key properties of N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide?
N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide is sourced from PubChem (CID 97484544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).