N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide

C16H21N5O4 — CID 24537035

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1=O
InChIInChI=1S/C16H21N5O4/c1-2-10-20-12(22)7-6-11(18-20)13(23)19-21-14(24)16(17-15(21)25)8-4-3-5-9-16/h6-7H,2-5,8-10H2,1H3,(H,17,25)(H,19,23)
InChIKeyYTSQEEUPOLTOBK-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.55
Rot. Bonds4

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 24537035) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID24537035
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1=O
InChIInChI=1S/C16H21N5O4/c1-2-10-20-12(22)7-6-11(18-20)13(23)19-21-14(24)16(17-15(21)25)8-4-3-5-9-16/h6-7H,2-5,8-10H2,1H3,(H,17,25)(H,19,23)
InChIKeyYTSQEEUPOLTOBK-UHFFFAOYSA-N
XLogP0.55
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 24537035) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1=O.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is YTSQEEUPOLTOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-2-10-20-12(22)7-6-11(18-20)13(23)19-21-14(24)16(17-15(21)25)8-4-3-5-9-16/h6-7H,2-5,8-10H2,1H3,(H,17,25)(H,19,23).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 24537035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).