tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate

C17H22N4O2 — CID 113046746

IUPACtert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate
SMILESCCc1ccc(Nc2ccc(NC(=O)OC(C)(C)C)nn2)cc1
InChIInChI=1S/C17H22N4O2/c1-5-12-6-8-13(9-7-12)18-14-10-11-15(21-20-14)19-16(22)23-17(2,3)4/h6-11H,5H2,1-4H3,(H,18,20)(H,19,21,22)
InChIKeyPPRUCLPVEQCKEQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.13
Rot. Bonds4

About tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate

tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate (PubChem CID 113046746) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate
PubChem CID113046746
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Nametert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate
SMILESCCc1ccc(Nc2ccc(NC(=O)OC(C)(C)C)nn2)cc1
InChIInChI=1S/C17H22N4O2/c1-5-12-6-8-13(9-7-12)18-14-10-11-15(21-20-14)19-16(22)23-17(2,3)4/h6-11H,5H2,1-4H3,(H,18,20)(H,19,21,22)
InChIKeyPPRUCLPVEQCKEQ-UHFFFAOYSA-N
XLogP4.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazin-3-yl]amino]benzoate
CID 113049504
tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate
CID 113049625
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094
N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide
CID 113047106
methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
CID 113049175
tert-butyl N-[(4-ethylphenyl)carbamothioylamino]carbamate
CID 7988138
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
tert-butyl N-[1-[[amino-(4-ethylanilino)methylidene]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 111757740
tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate
CID 172690542
tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
CID 113035609
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate (CID 113046746) is tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate is CCc1ccc(Nc2ccc(NC(=O)OC(C)(C)C)nn2)cc1.
What is the InChIKey of tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate?
The InChIKey is PPRUCLPVEQCKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-12-6-8-13(9-7-12)18-14-10-11-15(21-20-14)19-16(22)23-17(2,3)4/h6-11H,5H2,1-4H3,(H,18,20)(H,19,21,22).
What are the key properties of tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate?
tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate has a molecular weight of 314.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113046746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).