N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide

C15H24N4O2 — CID 113044823

IUPACN-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide
SMILESCCCCN(C)c1ccc(NC(=O)C2CCOCC2)nn1
InChIInChI=1S/C15H24N4O2/c1-3-4-9-19(2)14-6-5-13(17-18-14)16-15(20)12-7-10-21-11-8-12/h5-6,12H,3-4,7-11H2,1-2H3,(H,16,17,20)
InChIKeyGNCIFZKEDUZLSO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.08
Rot. Bonds6

About N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide

N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide (PubChem CID 113044823) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide
PubChem CID113044823
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide
SMILESCCCCN(C)c1ccc(NC(=O)C2CCOCC2)nn1
InChIInChI=1S/C15H24N4O2/c1-3-4-9-19(2)14-6-5-13(17-18-14)16-15(20)12-7-10-21-11-8-12/h5-6,12H,3-4,7-11H2,1-2H3,(H,16,17,20)
InChIKeyGNCIFZKEDUZLSO-UHFFFAOYSA-N
XLogP2.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113015387
N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042823
tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113044818
N-[6-(dipropylamino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045130
N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 113030505
N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113046674
N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide
CID 113044795
N-(6-methoxypyridazin-3-yl)oxolane-3-carboxamide
CID 155503304
6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109125639
N-[5-[butyl(methyl)amino]-2-pyridinyl]oxolane-2-carboxamide
CID 113030509
N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116973452
N-[6-(diethylamino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113043959

Frequently Asked Questions

What is the IUPAC name of N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide (CID 113044823) is N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide is CCCCN(C)c1ccc(NC(=O)C2CCOCC2)nn1.
What is the InChIKey of N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide?
The InChIKey is GNCIFZKEDUZLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-4-9-19(2)14-6-5-13(17-18-14)16-15(20)12-7-10-21-11-8-12/h5-6,12H,3-4,7-11H2,1-2H3,(H,16,17,20).
What are the key properties of N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide?
N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 113044823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).