1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide

C19H23FN4O3 — CID 53157540

IUPAC1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)NCCN2CCCCC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O3/c1-27-17-13-16(25)18(22-24(17)15-7-5-14(20)6-8-15)19(26)21-9-12-23-10-3-2-4-11-23/h5-8,13H,2-4,9-12H2,1H3,(H,21,26)
InChIKeyGPYBTBLAKUDBFC-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.60
Rot. Bonds6

About 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide

1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide (PubChem CID 53157540) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide
PubChem CID53157540
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)NCCN2CCCCC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O3/c1-27-17-13-16(25)18(22-24(17)15-7-5-14(20)6-8-15)19(26)21-9-12-23-10-3-2-4-11-23/h5-8,13H,2-4,9-12H2,1H3,(H,21,26)
InChIKeyGPYBTBLAKUDBFC-UHFFFAOYSA-N
XLogP1.60
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide (CID 53157540) is 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide is COc1cc(=O)c(C(=O)NCCN2CCCCC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide?
The InChIKey is GPYBTBLAKUDBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-27-17-13-16(25)18(22-24(17)15-7-5-14(20)6-8-15)19(26)21-9-12-23-10-3-2-4-11-23/h5-8,13H,2-4,9-12H2,1H3,(H,21,26).
What are the key properties of 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide?
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 53157540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).