6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide

C17H18F3N3O3 — CID 30293285

IUPAC6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C17H18F3N3O3/c1-2-9-23-15(24)8-7-14(22-23)16(25)21-10-12-3-5-13(6-4-12)26-11-17(18,19)20/h3-8H,2,9-11H2,1H3,(H,21,25)
InChIKeyCOUNNYVKJQXTFM-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.52
Rot. Bonds7

About 6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide

6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide (PubChem CID 30293285) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
PubChem CID30293285
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C17H18F3N3O3/c1-2-9-23-15(24)8-7-14(22-23)16(25)21-10-12-3-5-13(6-4-12)26-11-17(18,19)20/h3-8H,2,9-11H2,1H3,(H,21,25)
InChIKeyCOUNNYVKJQXTFM-UHFFFAOYSA-N
XLogP2.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]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

Related Compounds

N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 55712129
1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 17396464
1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide
CID 55803508
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18117439
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
N-[(3-butoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55749505
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 46440883
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 78779706
6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 174836862
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33302113

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide (CID 30293285) is 6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide is CCCn1nc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide?
The InChIKey is COUNNYVKJQXTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-2-9-23-15(24)8-7-14(22-23)16(25)21-10-12-3-5-13(6-4-12)26-11-17(18,19)20/h3-8H,2,9-11H2,1H3,(H,21,25).
What are the key properties of 6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide?
6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 30293285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).