N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide

C15H19N5O4 — CID 136520700

IUPACN-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide
SMILESCOc1ncncc1NC(=O)N1CC(=O)NC(=O)C12CCCCC2
InChIInChI=1S/C15H19N5O4/c1-24-12-10(7-16-9-17-12)18-14(23)20-8-11(21)19-13(22)15(20)5-3-2-4-6-15/h7,9H,2-6,8H2,1H3,(H,18,23)(H,19,21,22)
InChIKeyKXAMLYTVOXXTMH-UHFFFAOYSA-N
MW333.35 g/mol
LogP0.68
Rot. Bonds2

About N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide

N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide (PubChem CID 136520700) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide
PubChem CID136520700
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC NameN-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide
SMILESCOc1ncncc1NC(=O)N1CC(=O)NC(=O)C12CCCCC2
InChIInChI=1S/C15H19N5O4/c1-24-12-10(7-16-9-17-12)18-14(23)20-8-11(21)19-13(22)15(20)5-3-2-4-6-15/h7,9H,2-6,8H2,1H3,(H,18,23)(H,19,21,22)
InChIKeyKXAMLYTVOXXTMH-UHFFFAOYSA-N
XLogP0.68
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide?
The IUPAC name of N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide (CID 136520700) is N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide.
What is the SMILES notation for N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide?
The canonical SMILES for N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide is COc1ncncc1NC(=O)N1CC(=O)NC(=O)C12CCCCC2.
What is the InChIKey of N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide?
The InChIKey is KXAMLYTVOXXTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-24-12-10(7-16-9-17-12)18-14(23)20-8-11(21)19-13(22)15(20)5-3-2-4-6-15/h7,9H,2-6,8H2,1H3,(H,18,23)(H,19,21,22).
What are the key properties of N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide?
N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrimidin-5-yl)-3,5-dioxo-1,4-diazaspiro[5.5]undecane-1-carboxamide is sourced from PubChem (CID 136520700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).