3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide

C24H25FN4O3 — CID 71793960

IUPAC3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)cc1F
InChIInChI=1S/C24H25FN4O3/c1-31-21-6-4-3-5-18(21)20-8-10-23(28-27-20)29-13-11-17(12-14-29)26-24(30)16-7-9-22(32-2)19(25)15-16/h3-10,15,17H,11-14H2,1-2H3,(H,26,30)
InChIKeyRRHHWCQGVVWCCI-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.70
Rot. Bonds6

About 3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide

3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide (PubChem CID 71793960) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide
PubChem CID71793960
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)cc1F
InChIInChI=1S/C24H25FN4O3/c1-31-21-6-4-3-5-18(21)20-8-10-23(28-27-20)29-13-11-17(12-14-29)26-24(30)16-7-9-22(32-2)19(25)15-16/h3-10,15,17H,11-14H2,1-2H3,(H,26,30)
InChIKeyRRHHWCQGVVWCCI-UHFFFAOYSA-N
XLogP3.70
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide (CID 71793960) is 3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide?
The InChIKey is RRHHWCQGVVWCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-31-21-6-4-3-5-18(21)20-8-10-23(28-27-20)29-13-11-17(12-14-29)26-24(30)16-7-9-22(32-2)19(25)15-16/h3-10,15,17H,11-14H2,1-2H3,(H,26,30).
What are the key properties of 3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide?
3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide has a molecular weight of 436.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 71793960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).