methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate

C18H21N5O3 — CID 108776741

IUPACmethyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nn1
InChIInChI=1S/C18H21N5O3/c1-22-9-11-23(12-10-22)17(24)13-3-5-14(6-4-13)19-16-8-7-15(20-21-16)18(25)26-2/h3-8H,9-12H2,1-2H3,(H,19,21)
InChIKeyFKZFNOBINVSWAZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.39
Rot. Bonds4

About methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate

methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate (PubChem CID 108776741) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate
PubChem CID108776741
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Namemethyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nn1
InChIInChI=1S/C18H21N5O3/c1-22-9-11-23(12-10-22)17(24)13-3-5-14(6-4-13)19-16-8-7-15(20-21-16)18(25)26-2/h3-8H,9-12H2,1-2H3,(H,19,21)
InChIKeyFKZFNOBINVSWAZ-UHFFFAOYSA-N
XLogP1.39
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109345200
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109116415
methyl 4-[[4-(4-methylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109302322
methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate
CID 56796791
[4-[(2-chloro-6-methylpyrimidin-4-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 108776754
[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112707
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109154661
methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate
CID 47053095
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109129977
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate (CID 108776741) is methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate is COC(=O)c1ccc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nn1.
What is the InChIKey of methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate?
The InChIKey is FKZFNOBINVSWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-22-9-11-23(12-10-22)17(24)13-3-5-14(6-4-13)19-16-8-7-15(20-21-16)18(25)26-2/h3-8H,9-12H2,1-2H3,(H,19,21).
What are the key properties of methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate?
methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate has a molecular weight of 355.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate is sourced from PubChem (CID 108776741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).