N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide

C16H18FN3O3 — CID 8556390

IUPACN-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NC(C)(C)C
InChIInChI=1S/C16H18FN3O3/c1-16(2,3)18-15(22)14-12(23-4)9-13(21)20(19-14)11-7-5-10(17)6-8-11/h5-9H,1-4H3,(H,18,22)
InChIKeyKAOLRYWNVWARCO-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.91
Rot. Bonds3

About N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide

N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (PubChem CID 8556390) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
PubChem CID8556390
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC NameN-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NC(C)(C)C
InChIInChI=1S/C16H18FN3O3/c1-16(2,3)18-15(22)14-12(23-4)9-13(21)20(19-14)11-7-5-10(17)6-8-11/h5-9H,1-4H3,(H,18,22)
InChIKeyKAOLRYWNVWARCO-UHFFFAOYSA-N
XLogP1.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-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-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (CID 8556390) is N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The InChIKey is KAOLRYWNVWARCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-16(2,3)18-15(22)14-12(23-4)9-13(21)20(19-14)11-7-5-10(17)6-8-11/h5-9H,1-4H3,(H,18,22).
What are the key properties of N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8556390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).