N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide

C17H26N4O2 — CID 86769650

IUPACN-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC2CCOC3(CCCCC3)C2)nn1
InChIInChI=1S/C17H26N4O2/c1-2-18-16(22)14-6-7-15(21-20-14)19-13-8-11-23-17(12-13)9-4-3-5-10-17/h6-7,13H,2-5,8-12H2,1H3,(H,18,22)(H,19,21)
InChIKeyIOLQYZFYUGSFSF-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.52
Rot. Bonds4

About N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide

N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide (PubChem CID 86769650) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide
PubChem CID86769650
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC2CCOC3(CCCCC3)C2)nn1
InChIInChI=1S/C17H26N4O2/c1-2-18-16(22)14-6-7-15(21-20-14)19-13-8-11-23-17(12-13)9-4-3-5-10-17/h6-7,13H,2-5,8-12H2,1H3,(H,18,22)(H,19,21)
InChIKeyIOLQYZFYUGSFSF-UHFFFAOYSA-N
XLogP2.52
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide (CID 86769650) is N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide is CCNC(=O)c1ccc(NC2CCOC3(CCCCC3)C2)nn1.
What is the InChIKey of N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide?
The InChIKey is IOLQYZFYUGSFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-18-16(22)14-6-7-15(21-20-14)19-13-8-11-23-17(12-13)9-4-3-5-10-17/h6-7,13H,2-5,8-12H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide?
N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1-oxaspiro[5.5]undecan-4-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 86769650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).