N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

C14H14FN3O2 — CID 42896879

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H14FN3O2/c1-9(10-3-5-11(15)6-4-10)18(2)14(20)12-7-8-13(19)17-16-12/h3-9H,1-2H3,(H,17,19)
InChIKeyXQOPCIATMBQFON-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.74
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 42896879) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID42896879
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H14FN3O2/c1-9(10-3-5-11(15)6-4-10)18(2)14(20)12-7-8-13(19)17-16-12/h3-9H,1-2H3,(H,17,19)
InChIKeyXQOPCIATMBQFON-UHFFFAOYSA-N
XLogP1.74
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (CID 42896879) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is XQOPCIATMBQFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9(10-3-5-11(15)6-4-10)18(2)14(20)12-7-8-13(19)17-16-12/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 42896879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).