N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide

C17H16FN5O2 — CID 109122203

IUPACN-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
SMILESCc1cc(Nc2ccc(C(=O)NCCc3ccc(F)cc3)nn2)no1
InChIInChI=1S/C17H16FN5O2/c1-11-10-16(23-25-11)20-15-7-6-14(21-22-15)17(24)19-9-8-12-2-4-13(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,19,24)(H,20,22,23)
InChIKeyIDPPMANJYKNNMA-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide (PubChem CID 109122203) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
PubChem CID109122203
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
SMILESCc1cc(Nc2ccc(C(=O)NCCc3ccc(F)cc3)nn2)no1
InChIInChI=1S/C17H16FN5O2/c1-11-10-16(23-25-11)20-15-7-6-14(21-22-15)17(24)19-9-8-12-2-4-13(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,19,24)(H,20,22,23)
InChIKeyIDPPMANJYKNNMA-UHFFFAOYSA-N
XLogP2.63
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109372001
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122195
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122201
2-N-[2-(4-fluorophenyl)ethyl]-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
CID 109098616
6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109119955
6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122145
N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109122177
methyl 2-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109122187
6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109109833
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121227
6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122198

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide (CID 109122203) is N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide is Cc1cc(Nc2ccc(C(=O)NCCc3ccc(F)cc3)nn2)no1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide?
The InChIKey is IDPPMANJYKNNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-11-10-16(23-25-11)20-15-7-6-14(21-22-15)17(24)19-9-8-12-2-4-13(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,19,24)(H,20,22,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 109122203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).