N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide

C16H24N4O2 — CID 84589377

IUPACN-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC2CCOC3(CCCC3)C2)nn1
InChIInChI=1S/C16H24N4O2/c1-2-17-15(21)13-5-6-14(20-19-13)18-12-7-10-22-16(11-12)8-3-4-9-16/h5-6,12H,2-4,7-11H2,1H3,(H,17,21)(H,18,20)
InChIKeyRPNXHULNIZAUFY-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.13
Rot. Bonds4

About N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide

N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide (PubChem CID 84589377) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide
PubChem CID84589377
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC2CCOC3(CCCC3)C2)nn1
InChIInChI=1S/C16H24N4O2/c1-2-17-15(21)13-5-6-14(20-19-13)18-12-7-10-22-16(11-12)8-3-4-9-16/h5-6,12H,2-4,7-11H2,1H3,(H,17,21)(H,18,20)
InChIKeyRPNXHULNIZAUFY-UHFFFAOYSA-N
XLogP2.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide (CID 84589377) is N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide is CCNC(=O)c1ccc(NC2CCOC3(CCCC3)C2)nn1.
What is the InChIKey of N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide?
The InChIKey is RPNXHULNIZAUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-17-15(21)13-5-6-14(20-19-13)18-12-7-10-22-16(11-12)8-3-4-9-16/h5-6,12H,2-4,7-11H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide?
N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 84589377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).