N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide

C17H17FN4O2 — CID 118600317

IUPACN-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide
SMILESCCN1C(=O)C(C)(C)c2cc(F)c(NC(=O)c3ccnnc3)cc21
InChIInChI=1S/C17H17FN4O2/c1-4-22-14-8-13(21-15(23)10-5-6-19-20-9-10)12(18)7-11(14)17(2,3)16(22)24/h5-9H,4H2,1-3H3,(H,21,23)
InChIKeyVLWIGJDBRZQWQB-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.51
Rot. Bonds3

About N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide

N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide (PubChem CID 118600317) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide
PubChem CID118600317
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide
SMILESCCN1C(=O)C(C)(C)c2cc(F)c(NC(=O)c3ccnnc3)cc21
InChIInChI=1S/C17H17FN4O2/c1-4-22-14-8-13(21-15(23)10-5-6-19-20-9-10)12(18)7-11(14)17(2,3)16(22)24/h5-9H,4H2,1-3H3,(H,21,23)
InChIKeyVLWIGJDBRZQWQB-UHFFFAOYSA-N
XLogP2.51
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-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-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide (CID 118600317) is N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide is CCN1C(=O)C(C)(C)c2cc(F)c(NC(=O)c3ccnnc3)cc21.
What is the InChIKey of N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide?
The InChIKey is VLWIGJDBRZQWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-4-22-14-8-13(21-15(23)10-5-6-19-20-9-10)12(18)7-11(14)17(2,3)16(22)24/h5-9H,4H2,1-3H3,(H,21,23).
What are the key properties of N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide?
N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 118600317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).