1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide

C26H23FN4O — CID 30362643

IUPAC1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C26H23FN4O/c27-21-10-8-19(9-11-21)23-12-13-25(30-29-23)31-16-14-20(15-17-31)26(32)28-24-7-3-5-18-4-1-2-6-22(18)24/h1-13,20H,14-17H2,(H,28,32)
InChIKeyVXLSENMDEDEEKI-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.29
Rot. Bonds4

About 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide

1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide (PubChem CID 30362643) has the molecular formula C26H23FN4O and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide
PubChem CID30362643
Molecular FormulaC26H23FN4O
Molecular Weight426.50 g/mol
Exact Mass426.19
IUPAC Name1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C26H23FN4O/c27-21-10-8-19(9-11-21)23-12-13-25(30-29-23)31-16-14-20(15-17-31)26(32)28-24-7-3-5-18-4-1-2-6-22(18)24/h1-13,20H,14-17H2,(H,28,32)
InChIKeyVXLSENMDEDEEKI-UHFFFAOYSA-N
XLogP5.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide (CID 30362643) is 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide is O=C(Nc1cccc2ccccc12)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide?
The InChIKey is VXLSENMDEDEEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O/c27-21-10-8-19(9-11-21)23-12-13-25(30-29-23)31-16-14-20(15-17-31)26(32)28-24-7-3-5-18-4-1-2-6-22(18)24/h1-13,20H,14-17H2,(H,28,32).
What are the key properties of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide?
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 30362643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).