N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide

C14H23N5O2 — CID 133329435

IUPACN-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(C)C(C)N2CCOCC2)nn1
InChIInChI=1S/C14H23N5O2/c1-10(11(2)19-6-8-21-9-7-19)16-13-5-4-12(17-18-13)14(20)15-3/h4-5,10-11H,6-9H2,1-3H3,(H,15,20)(H,16,18)
InChIKeySJWMLLWSYGBJHH-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.36
Rot. Bonds5

About N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide

N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide (PubChem CID 133329435) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide
PubChem CID133329435
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(C)C(C)N2CCOCC2)nn1
InChIInChI=1S/C14H23N5O2/c1-10(11(2)19-6-8-21-9-7-19)16-13-5-4-12(17-18-13)14(20)15-3/h4-5,10-11H,6-9H2,1-3H3,(H,15,20)(H,16,18)
InChIKeySJWMLLWSYGBJHH-UHFFFAOYSA-N
XLogP0.36
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3,3,3-TRIFLUORO-2-METHYL-2-TRIFLUOROMETHYLPROPIONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11442719
N-cyclohexyl-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide
CID 141463729
N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 141463751
N-cyclohexyl-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide
CID 141463762
6-[4-(2-TRIFLUOROMETHYLCYCLOPROPANECARBONYL)PIPERAZIN-1-YL]-PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11258405
N-(2-adamantyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 141463752
6-[Cyclobutyl(methyl)amino]pyridazine-3-carboxamide
CID 75377045
N-cyclohexyl-6-morpholinopyridazine-3-carboxamide
CID 109112982
US11591331, Example 61
CID 167845001
3-Pyridazinecarboxylic acid, 6-morpholino-, 2-(2-carboxy-1-methylethylidene)hydrazide, ethyl ester
CID 13382920
[6-(Dimethylamino)pyridazin-3-yl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 53579751
[4-(2-Hydroxypropyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 53625217

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide (CID 133329435) is N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide is CNC(=O)c1ccc(NC(C)C(C)N2CCOCC2)nn1.
What is the InChIKey of N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is SJWMLLWSYGBJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(11(2)19-6-8-21-9-7-19)16-13-5-4-12(17-18-13)14(20)15-3/h4-5,10-11H,6-9H2,1-3H3,(H,15,20)(H,16,18).
What are the key properties of N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide?
N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-morpholin-4-ylbutan-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 133329435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).