N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

C24H24FN5O2 — CID 30866830

IUPACN-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c1
InChIInChI=1S/C24H24FN5O2/c1-16(31)26-20-3-2-4-21(15-20)27-24(32)18-11-13-30(14-12-18)23-10-9-22(28-29-23)17-5-7-19(25)8-6-17/h2-10,15,18H,11-14H2,1H3,(H,26,31)(H,27,32)
InChIKeyVGVUATAHOQEIMY-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.10
Rot. Bonds5

About N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30866830) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30866830
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c1
InChIInChI=1S/C24H24FN5O2/c1-16(31)26-20-3-2-4-21(15-20)27-24(32)18-11-13-30(14-12-18)23-10-9-22(28-29-23)17-5-7-19(25)8-6-17/h2-10,15,18H,11-14H2,1H3,(H,26,31)(H,27,32)
InChIKeyVGVUATAHOQEIMY-UHFFFAOYSA-N
XLogP4.10
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30866830) is N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is VGVUATAHOQEIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-16(31)26-20-3-2-4-21(15-20)27-24(32)18-11-13-30(14-12-18)23-10-9-22(28-29-23)17-5-7-19(25)8-6-17/h2-10,15,18H,11-14H2,1H3,(H,26,31)(H,27,32).
What are the key properties of N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30866830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).