2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide

C17H24N4O2 — CID 134072548

IUPAC2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
SMILESCN(C)C(=O)N1CCC2(CC2C(=O)N(C)Cc2ccccn2)C1
InChIInChI=1S/C17H24N4O2/c1-19(2)16(23)21-9-7-17(12-21)10-14(17)15(22)20(3)11-13-6-4-5-8-18-13/h4-6,8,14H,7,9-12H2,1-3H3
InChIKeyXMPPXROBDNDUAV-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.43
Rot. Bonds3

About 2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide

2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide (PubChem CID 134072548) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
PubChem CID134072548
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
SMILESCN(C)C(=O)N1CCC2(CC2C(=O)N(C)Cc2ccccn2)C1
InChIInChI=1S/C17H24N4O2/c1-19(2)16(23)21-9-7-17(12-21)10-14(17)15(22)20(3)11-13-6-4-5-8-18-13/h4-6,8,14H,7,9-12H2,1-3H3
InChIKeyXMPPXROBDNDUAV-UHFFFAOYSA-N
XLogP1.43
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide (CID 134072548) is 2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide is CN(C)C(=O)N1CCC2(CC2C(=O)N(C)Cc2ccccn2)C1.
What is the InChIKey of 2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?
The InChIKey is XMPPXROBDNDUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19(2)16(23)21-9-7-17(12-21)10-14(17)15(22)20(3)11-13-6-4-5-8-18-13/h4-6,8,14H,7,9-12H2,1-3H3.
What are the key properties of 2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?
2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide is sourced from PubChem (CID 134072548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).