N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide

C16H24N4O2 — CID 118738935

IUPACN-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
SMILESCNC(=O)C1CCC2(CCN(c3ncc(C)cn3)CC2)CO1
InChIInChI=1S/C16H24N4O2/c1-12-9-18-15(19-10-12)20-7-5-16(6-8-20)4-3-13(22-11-16)14(21)17-2/h9-10,13H,3-8,11H2,1-2H3,(H,17,21)
InChIKeyJHXZMPRXIYSDRL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.30
Rot. Bonds2

About N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide

N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide (PubChem CID 118738935) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
PubChem CID118738935
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
SMILESCNC(=O)C1CCC2(CCN(c3ncc(C)cn3)CC2)CO1
InChIInChI=1S/C16H24N4O2/c1-12-9-18-15(19-10-12)20-7-5-16(6-8-20)4-3-13(22-11-16)14(21)17-2/h9-10,13H,3-8,11H2,1-2H3,(H,17,21)
InChIKeyJHXZMPRXIYSDRL-UHFFFAOYSA-N
XLogP1.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide (CID 118738935) is N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide is CNC(=O)C1CCC2(CCN(c3ncc(C)cn3)CC2)CO1.
What is the InChIKey of N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The InChIKey is JHXZMPRXIYSDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-9-18-15(19-10-12)20-7-5-16(6-8-20)4-3-13(22-11-16)14(21)17-2/h9-10,13H,3-8,11H2,1-2H3,(H,17,21).
What are the key properties of N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 118738935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).