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

C17H26N4O2 — CID 118738936

IUPACN-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
SMILESCC(C)NC(=O)C1CCC2(CCN(c3ncccn3)CC2)CO1
InChIInChI=1S/C17H26N4O2/c1-13(2)20-15(22)14-4-5-17(12-23-14)6-10-21(11-7-17)16-18-8-3-9-19-16/h3,8-9,13-14H,4-7,10-12H2,1-2H3,(H,20,22)
InChIKeyRHIGGAPFRILEMK-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.77
Rot. Bonds3

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

N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide (PubChem CID 118738936) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
PubChem CID118738936
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
SMILESCC(C)NC(=O)C1CCC2(CCN(c3ncccn3)CC2)CO1
InChIInChI=1S/C17H26N4O2/c1-13(2)20-15(22)14-4-5-17(12-23-14)6-10-21(11-7-17)16-18-8-3-9-19-16/h3,8-9,13-14H,4-7,10-12H2,1-2H3,(H,20,22)
InChIKeyRHIGGAPFRILEMK-UHFFFAOYSA-N
XLogP1.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide (CID 118738936) is N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide is CC(C)NC(=O)C1CCC2(CCN(c3ncccn3)CC2)CO1.
What is the InChIKey of N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The InChIKey is RHIGGAPFRILEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(2)20-15(22)14-4-5-17(12-23-14)6-10-21(11-7-17)16-18-8-3-9-19-16/h3,8-9,13-14H,4-7,10-12H2,1-2H3,(H,20,22).
What are the key properties of N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 118738936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).