N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide

C15H22N4O2 — CID 134075162

IUPACN-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
SMILESCNC(=O)C1CCC2(CCN(c3ncccn3)CC2)CO1
InChIInChI=1S/C15H22N4O2/c1-16-13(20)12-3-4-15(11-21-12)5-9-19(10-6-15)14-17-7-2-8-18-14/h2,7-8,12H,3-6,9-11H2,1H3,(H,16,20)
InChIKeyGNXIMVKLVLAPDS-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.99
Rot. Bonds2

About N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide

N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide (PubChem CID 134075162) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
PubChem CID134075162
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
SMILESCNC(=O)C1CCC2(CCN(c3ncccn3)CC2)CO1
InChIInChI=1S/C15H22N4O2/c1-16-13(20)12-3-4-15(11-21-12)5-9-19(10-6-15)14-17-7-2-8-18-14/h2,7-8,12H,3-6,9-11H2,1H3,(H,16,20)
InChIKeyGNXIMVKLVLAPDS-UHFFFAOYSA-N
XLogP0.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide (CID 134075162) is N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide is CNC(=O)C1CCC2(CCN(c3ncccn3)CC2)CO1.
What is the InChIKey of N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The InChIKey is GNXIMVKLVLAPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-16-13(20)12-3-4-15(11-21-12)5-9-19(10-6-15)14-17-7-2-8-18-14/h2,7-8,12H,3-6,9-11H2,1H3,(H,16,20).
What are the key properties of N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 134075162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).