N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide

C20H24N6O6 — CID 166328204

IUPACN-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide
SMILESO=C(NCC1CC2(CCOCC2)CN1C(=O)Cn1ccc(=O)[nH]c1=O)c1cn[nH]c(=O)c1
InChIInChI=1S/C20H24N6O6/c27-15-1-4-25(19(31)23-15)11-17(29)26-12-20(2-5-32-6-3-20)8-14(26)10-21-18(30)13-7-16(28)24-22-9-13/h1,4,7,9,14H,2-3,5-6,8,10-12H2,(H,21,30)(H,24,28)(H,23,27,31)
InChIKeyDWCOLSXBFCFCBR-UHFFFAOYSA-N
MW444.45 g/mol
LogP-1.55
Rot. Bonds5

About N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide

N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide (PubChem CID 166328204) has the molecular formula C20H24N6O6 and a molecular weight of 444.45 g/mol. Its IUPAC name is N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide
PubChem CID166328204
Molecular FormulaC20H24N6O6
Molecular Weight444.45 g/mol
Exact Mass444.18
IUPAC NameN-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide
SMILESO=C(NCC1CC2(CCOCC2)CN1C(=O)Cn1ccc(=O)[nH]c1=O)c1cn[nH]c(=O)c1
InChIInChI=1S/C20H24N6O6/c27-15-1-4-25(19(31)23-15)11-17(29)26-12-20(2-5-32-6-3-20)8-14(26)10-21-18(30)13-7-16(28)24-22-9-13/h1,4,7,9,14H,2-3,5-6,8,10-12H2,(H,21,30)(H,24,28)(H,23,27,31)
InChIKeyDWCOLSXBFCFCBR-UHFFFAOYSA-N
XLogP-1.55
TPSA159.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide?
The IUPAC name of N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide (CID 166328204) is N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide.
What is the SMILES notation for N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide?
The canonical SMILES for N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide is O=C(NCC1CC2(CCOCC2)CN1C(=O)Cn1ccc(=O)[nH]c1=O)c1cn[nH]c(=O)c1.
What is the InChIKey of N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide?
The InChIKey is DWCOLSXBFCFCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O6/c27-15-1-4-25(19(31)23-15)11-17(29)26-12-20(2-5-32-6-3-20)8-14(26)10-21-18(30)13-7-16(28)24-22-9-13/h1,4,7,9,14H,2-3,5-6,8,10-12H2,(H,21,30)(H,24,28)(H,23,27,31).
What are the key properties of N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide?
N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide has a molecular weight of 444.45 g/mol, XLogP of -1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-6-oxo-1H-pyridazine-4-carboxamide is sourced from PubChem (CID 166328204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).