6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide

C23H26N6O4 — CID 178104004

IUPAC6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide
SMILESC=CC(=O)N(C)C1CC(Oc2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(N)=O)c2)C1
InChIInChI=1S/C23H26N6O4/c1-3-20(30)29(2)15-10-17(11-15)33-16-6-4-5-14(9-16)25-18-12-19(26-23(32)13-7-8-13)27-28-21(18)22(24)31/h3-6,9,12-13,15,17H,1,7-8,10-11H2,2H3,(H2,24,31)(H2,25,26,27,32)
InChIKeyPWGGGGNMSVKKQM-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.22
Rot. Bonds9

About 6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide (PubChem CID 178104004) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide
PubChem CID178104004
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide
SMILESC=CC(=O)N(C)C1CC(Oc2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(N)=O)c2)C1
InChIInChI=1S/C23H26N6O4/c1-3-20(30)29(2)15-10-17(11-15)33-16-6-4-5-14(9-16)25-18-12-19(26-23(32)13-7-8-13)27-28-21(18)22(24)31/h3-6,9,12-13,15,17H,1,7-8,10-11H2,2H3,(H2,24,31)(H2,25,26,27,32)
InChIKeyPWGGGGNMSVKKQM-UHFFFAOYSA-N
XLogP2.22
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.22
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-(2-methyl-1-prop-2-enoylazetidin-3-yl)oxyanilino]pyridazine-3-carboxamide
CID 178104036
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-ethenyl-N-methylpyridazine-3-carboxamide
CID 177347381
6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170719727
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
CID 166585052
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
4-[3-[3-cyano-1-(oxolan-3-yl)pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide
CID 174209246
4-[3-[3-cyano-1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)pyridazine-3-carboxamide
CID 170965623

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide (CID 178104004) is 6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide is C=CC(=O)N(C)C1CC(Oc2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(N)=O)c2)C1.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide?
The InChIKey is PWGGGGNMSVKKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-3-20(30)29(2)15-10-17(11-15)33-16-6-4-5-14(9-16)25-18-12-19(26-23(32)13-7-8-13)27-28-21(18)22(24)31/h3-6,9,12-13,15,17H,1,7-8,10-11H2,2H3,(H2,24,31)(H2,25,26,27,32).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 2.22, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[3-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]oxyanilino]pyridazine-3-carboxamide is sourced from PubChem (CID 178104004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).