2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide

C19H29N5O2 — CID 70773399

IUPAC2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCCNC(=O)N1CCCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1
InChIInChI=1S/C19H29N5O2/c1-3-8-20-18(26)23-9-4-6-19(13-23)7-5-17(25)24(14-19)12-16-11-21-15(2)10-22-16/h10-11H,3-9,12-14H2,1-2H3,(H,20,26)
InChIKeyGMXDTYSWQRRCDL-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.11
Rot. Bonds4

About 2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide

2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 70773399) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID70773399
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCCNC(=O)N1CCCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1
InChIInChI=1S/C19H29N5O2/c1-3-8-20-18(26)23-9-4-6-19(13-23)7-5-17(25)24(14-19)12-16-11-21-15(2)10-22-16/h10-11H,3-9,12-14H2,1-2H3,(H,20,26)
InChIKeyGMXDTYSWQRRCDL-UHFFFAOYSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide (CID 70773399) is 2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide is CCCNC(=O)N1CCCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is GMXDTYSWQRRCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-3-8-20-18(26)23-9-4-6-19(13-23)7-5-17(25)24(14-19)12-16-11-21-15(2)10-22-16/h10-11H,3-9,12-14H2,1-2H3,(H,20,26).
What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide?
2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 70773399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).