methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate

C18H15FN4O3 — CID 133274466

IUPACmethyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccc(Oc3cccnc3)c(F)c2)nn1
InChIInChI=1S/C18H15FN4O3/c1-25-18(24)15-5-7-17(23-22-15)21-10-12-4-6-16(14(19)9-12)26-13-3-2-8-20-11-13/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyQGZFXEWZDHPEJJ-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.20
Rot. Bonds6

About methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate

methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate (PubChem CID 133274466) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate
PubChem CID133274466
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Namemethyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccc(Oc3cccnc3)c(F)c2)nn1
InChIInChI=1S/C18H15FN4O3/c1-25-18(24)15-5-7-17(23-22-15)21-10-12-4-6-16(14(19)9-12)26-13-3-2-8-20-11-13/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyQGZFXEWZDHPEJJ-UHFFFAOYSA-N
XLogP3.20
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine
CID 133274441
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 166189097
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133274479
methyl 2-fluoro-4-[(pyridin-3-ylamino)methyl]benzoate
CID 126507621
1-tert-butyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110964790
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3,5-dinitrobenzamide
CID 47739998
6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133329611
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
1-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine
CID 110952626
4-bromo-5-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 133303824
5-chloro-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-nitrobenzamide
CID 60586646
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918435

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate (CID 133274466) is methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCc2ccc(Oc3cccnc3)c(F)c2)nn1.
What is the InChIKey of methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate?
The InChIKey is QGZFXEWZDHPEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-25-18(24)15-5-7-17(23-22-15)21-10-12-4-6-16(14(19)9-12)26-13-3-2-8-20-11-13/h2-9,11H,10H2,1H3,(H,21,23).
What are the key properties of methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate?
methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate has a molecular weight of 354.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 133274466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).