6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide

C17H19FN4O2 — CID 16732748

IUPAC6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(Oc3ccccc3F)CC2)nn1
InChIInChI=1S/C17H19FN4O2/c1-19-17(23)14-6-7-16(21-20-14)22-10-8-12(9-11-22)24-15-5-3-2-4-13(15)18/h2-7,12H,8-11H2,1H3,(H,19,23)
InChIKeyINMAVADHDSNPIQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.02
Rot. Bonds4

About 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide

6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 16732748) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID16732748
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(Oc3ccccc3F)CC2)nn1
InChIInChI=1S/C17H19FN4O2/c1-19-17(23)14-6-7-16(21-20-14)22-10-8-12(9-11-22)24-15-5-3-2-4-13(15)18/h2-7,12H,8-11H2,1H3,(H,19,23)
InChIKeyINMAVADHDSNPIQ-UHFFFAOYSA-N
XLogP2.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide (CID 16732748) is 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCC(Oc3ccccc3F)CC2)nn1.
What is the InChIKey of 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is INMAVADHDSNPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-19-17(23)14-6-7-16(21-20-14)22-10-8-12(9-11-22)24-15-5-3-2-4-13(15)18/h2-7,12H,8-11H2,1H3,(H,19,23).
What are the key properties of 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 16732748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).