1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide

C25H27FN4O2 — CID 24551624

IUPAC1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)nn1-c1ccccc1F
InChIInChI=1S/C25H27FN4O2/c1-18-16-23(31)24(27-30(18)22-13-7-5-11-20(22)26)25(32)28(2)17-19-10-4-6-12-21(19)29-14-8-3-9-15-29/h4-7,10-13,16H,3,8-9,14-15,17H2,1-2H3
InChIKeyYXQPIXNFTICXIV-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.94
Rot. Bonds5

About 1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide

1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 24551624) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
PubChem CID24551624
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)nn1-c1ccccc1F
InChIInChI=1S/C25H27FN4O2/c1-18-16-23(31)24(27-30(18)22-13-7-5-11-20(22)26)25(32)28(2)17-19-10-4-6-12-21(19)29-14-8-3-9-15-29/h4-7,10-13,16H,3,8-9,14-15,17H2,1-2H3
InChIKeyYXQPIXNFTICXIV-UHFFFAOYSA-N
XLogP3.94
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide (CID 24551624) is 1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is YXQPIXNFTICXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-18-16-23(31)24(27-30(18)22-13-7-5-11-20(22)26)25(32)28(2)17-19-10-4-6-12-21(19)29-14-8-3-9-15-29/h4-7,10-13,16H,3,8-9,14-15,17H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide?
1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 24551624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).