ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate

C18H24N6O2 — CID 113049859

IUPACethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(N3CCN(C)CC3)cc2)nn1
InChIInChI=1S/C18H24N6O2/c1-3-26-18(25)20-17-9-8-16(21-22-17)19-14-4-6-15(7-5-14)24-12-10-23(2)11-13-24/h4-9H,3,10-13H2,1-2H3,(H,19,21)(H,20,22,25)
InChIKeyXDAQENFHFLNNGE-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.54
Rot. Bonds5

About ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate

ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate (PubChem CID 113049859) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate
PubChem CID113049859
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Nameethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(N3CCN(C)CC3)cc2)nn1
InChIInChI=1S/C18H24N6O2/c1-3-26-18(25)20-17-9-8-16(21-22-17)19-14-4-6-15(7-5-14)24-12-10-23(2)11-13-24/h4-9H,3,10-13H2,1-2H3,(H,19,21)(H,20,22,25)
InChIKeyXDAQENFHFLNNGE-UHFFFAOYSA-N
XLogP2.54
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide
CID 113049844
6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
CID 109126707
ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
CID 113046451
ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate
CID 110292016
diethyl 2-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]propanedioate
CID 86628012
4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide
CID 113049713
ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043939
ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
CID 113029652
ethyl 2-[4-(4-methylpiperazin-1-yl)anilino]-4-(pyridine-4-carbonyl)pyrimidine-5-carboxylate
CID 71223935
ethyl 4-(2-methylbenzoyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxylate
CID 71224293
ethyl 4-(cyclopentanecarbonyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxylate
CID 71224189
ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
CID 113045640

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate?
The IUPAC name of ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate (CID 113049859) is ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate is CCOC(=O)Nc1ccc(Nc2ccc(N3CCN(C)CC3)cc2)nn1.
What is the InChIKey of ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate?
The InChIKey is XDAQENFHFLNNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-3-26-18(25)20-17-9-8-16(21-22-17)19-14-4-6-15(7-5-14)24-12-10-23(2)11-13-24/h4-9H,3,10-13H2,1-2H3,(H,19,21)(H,20,22,25).
What are the key properties of ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate?
ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate has a molecular weight of 356.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate is sourced from PubChem (CID 113049859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).