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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Related Compounds

4-Methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 56778538
1-{4-[5-(Dimethylamino)pyridazin-3-YL]piperazin-1-YL}-2-methylpropan-1-one
CID 71807486
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)-3-methylbutan-1-one
CID 71807488
N-{1-[5-(Morpholin-4-YL)pyridazin-3-YL]pyrrolidin-3-YL}cyclopropanecarboxamide
CID 124078178
N-{1-[5-(Morpholin-4-YL)pyridazin-3-YL]pyrrolidin-3-YL}cyclopentanecarboxamide
CID 124078179
N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 164639877
N-(2-((5-(dimethylamino)pyridazin-3-yl)amino)ethyl)-3,3,3-trifluoropropanamide
CID 122320882
3,3,3-trifluoro-N-(2-((5-morpholinopyridazin-3-yl)amino)ethyl)propanamide
CID 122321665
N-(2-(4-(5-morpholinopyridazin-3-yl)piperazin-1-yl)-2-oxoethyl)butyramide
CID 73168078
3-N-(oxan-4-yl)pyridazine-3,5-diamine
CID 139437730
3-[4-Methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 152671030
N-[6-[(3R)-3-(methylamino)piperidin-1-yl]pyridazin-4-yl]acetamide
CID 177272335

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).