6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide

C22H24N6O4 — CID 178104036

IUPAC6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide
SMILESC=CC(=O)N1CC(Oc2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(N)=O)c2)C1C
InChIInChI=1S/C22H24N6O4/c1-3-19(29)28-11-17(12(28)2)32-15-6-4-5-14(9-15)24-16-10-18(25-22(31)13-7-8-13)26-27-20(16)21(23)30/h3-6,9-10,12-13,17H,1,7-8,11H2,2H3,(H2,23,30)(H2,24,25,26,31)
InChIKeyZPESMCUXYBWLNW-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.83
Rot. Bonds8

About 6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide (PubChem CID 178104036) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide
PubChem CID178104036
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide
SMILESC=CC(=O)N1CC(Oc2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(N)=O)c2)C1C
InChIInChI=1S/C22H24N6O4/c1-3-19(29)28-11-17(12(28)2)32-15-6-4-5-14(9-15)24-16-10-18(25-22(31)13-7-8-13)26-27-20(16)21(23)30/h3-6,9-10,12-13,17H,1,7-8,11H2,2H3,(H2,23,30)(H2,24,25,26,31)
InChIKeyZPESMCUXYBWLNW-UHFFFAOYSA-N
XLogP1.83
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide
CID 178104004
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide
CID 178104044
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
6-(cyclopropanecarbonylamino)-4-[3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 155535582
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropylpyrazol-4-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965465
6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170719727
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide
CID 170965870
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(4-methoxyoxolan-3-yl)pyrazol-3-yl]anilino]pyridazine-3-carboxamide
CID 170965928
6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide
CID 177347381
6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965686
N-[5-(3-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 59589691

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide (CID 178104036) is 6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide is C=CC(=O)N1CC(Oc2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(N)=O)c2)C1C.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide?
The InChIKey is ZPESMCUXYBWLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-3-19(29)28-11-17(12(28)2)32-15-6-4-5-14(9-15)24-16-10-18(25-22(31)13-7-8-13)26-27-20(16)21(23)30/h3-6,9-10,12-13,17H,1,7-8,11H2,2H3,(H2,23,30)(H2,24,25,26,31).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[3-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide is sourced from PubChem (CID 178104036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).