N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide

C14H23N5O2 — CID 122320825

IUPACN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide
SMILESCN(C)c1cnnc(NCCNC(=O)C2CCOCC2)c1
InChIInChI=1S/C14H23N5O2/c1-19(2)12-9-13(18-17-10-12)15-5-6-16-14(20)11-3-7-21-8-4-11/h9-11H,3-8H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyUFAMGFUYDSOSLM-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.50
Rot. Bonds6

About N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide (PubChem CID 122320825) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide
PubChem CID122320825
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide
SMILESCN(C)c1cnnc(NCCNC(=O)C2CCOCC2)c1
InChIInChI=1S/C14H23N5O2/c1-19(2)12-9-13(18-17-10-12)15-5-6-16-14(20)11-3-7-21-8-4-11/h9-11H,3-8H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyUFAMGFUYDSOSLM-UHFFFAOYSA-N
XLogP0.50
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide (CID 122320825) is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide is CN(C)c1cnnc(NCCNC(=O)C2CCOCC2)c1.
What is the InChIKey of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide?
The InChIKey is UFAMGFUYDSOSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-19(2)12-9-13(18-17-10-12)15-5-6-16-14(20)11-3-7-21-8-4-11/h9-11H,3-8H2,1-2H3,(H,15,18)(H,16,20).
What are the key properties of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide?
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 122320825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).