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

C17H23N5O2 — CID 113049625

IUPACtert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)OC(C)(C)C)nn2)cc1
InChIInChI=1S/C17H23N5O2/c1-17(2,3)24-16(23)19-15-11-10-14(20-21-15)18-12-6-8-13(9-7-12)22(4)5/h6-11H,1-5H3,(H,18,20)(H,19,21,23)
InChIKeyBRRGDCKXKAGBPL-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.63
Rot. Bonds4

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

tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate (PubChem CID 113049625) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate
PubChem CID113049625
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Nametert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)OC(C)(C)C)nn2)cc1
InChIInChI=1S/C17H23N5O2/c1-17(2,3)24-16(23)19-15-11-10-14(20-21-15)18-12-6-8-13(9-7-12)22(4)5/h6-11H,1-5H3,(H,18,20)(H,19,21,23)
InChIKeyBRRGDCKXKAGBPL-UHFFFAOYSA-N
XLogP3.63
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-ethylanilino)pyridazin-3-yl]carbamate
CID 113046746
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113049573
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide
CID 113049582
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
CID 113049629
tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
CID 113035609
tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
CID 115743334
methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
CID 113049175
6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129399
[4-[4-(dimethylamino)anilino]phenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22827520

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate (CID 113049625) is tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate is CN(C)c1ccc(Nc2ccc(NC(=O)OC(C)(C)C)nn2)cc1.
What is the InChIKey of tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate?
The InChIKey is BRRGDCKXKAGBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(2,3)24-16(23)19-15-11-10-14(20-21-15)18-12-6-8-13(9-7-12)22(4)5/h6-11H,1-5H3,(H,18,20)(H,19,21,23).
What are the key properties of tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate?
tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate has a molecular weight of 329.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate is sourced from PubChem (CID 113049625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).