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

C16H17FN4O — CID 109109833

IUPAC6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(NC2CC2)nn1
InChIInChI=1S/C16H17FN4O/c17-12-3-1-11(2-4-12)9-10-18-16(22)14-7-8-15(21-20-14)19-13-5-6-13/h1-4,7-8,13H,5-6,9-10H2,(H,18,22)(H,19,21)
InChIKeyKZHAMEXJDQWFBF-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.16
Rot. Bonds6

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

6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109109833) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109109833
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(NC2CC2)nn1
InChIInChI=1S/C16H17FN4O/c17-12-3-1-11(2-4-12)9-10-18-16(22)14-7-8-15(21-20-14)19-13-5-6-13/h1-4,7-8,13H,5-6,9-10H2,(H,18,22)(H,19,21)
InChIKeyKZHAMEXJDQWFBF-UHFFFAOYSA-N
XLogP2.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121643
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109112117
6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200
6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122145
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122201
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413
N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109112300
2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109295559
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
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114295

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide (CID 109109833) is 6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccc(NC2CC2)nn1.
What is the InChIKey of 6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is KZHAMEXJDQWFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-12-3-1-11(2-4-12)9-10-18-16(22)14-7-8-15(21-20-14)19-13-5-6-13/h1-4,7-8,13H,5-6,9-10H2,(H,18,22)(H,19,21).
What are the key properties of 6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109109833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).