6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide

C17H21FN4O — CID 109122145

IUPAC6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCC(C)(C)Nc1ccc(C(=O)NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C17H21FN4O/c1-17(2,3)20-15-9-8-14(21-22-15)16(23)19-11-10-12-4-6-13(18)7-5-12/h4-9H,10-11H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyMXRJMLGNYQNBQM-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.80
Rot. Bonds5

About 6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide

6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109122145) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109122145
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCC(C)(C)Nc1ccc(C(=O)NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C17H21FN4O/c1-17(2,3)20-15-9-8-14(21-22-15)16(23)19-11-10-12-4-6-13(18)7-5-12/h4-9H,10-11H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyMXRJMLGNYQNBQM-UHFFFAOYSA-N
XLogP2.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122201
6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109109833
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114295
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122195
N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109122203
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214110
methyl 2-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109122187
N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109122177
N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122067

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide (CID 109122145) is 6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide is CC(C)(C)Nc1ccc(C(=O)NCCc2ccc(F)cc2)nn1.
What is the InChIKey of 6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is MXRJMLGNYQNBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-17(2,3)20-15-9-8-14(21-22-15)16(23)19-11-10-12-4-6-13(18)7-5-12/h4-9H,10-11H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109122145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).