6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride

C19H22ClF3N4O2 — CID 120598465

IUPAC6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
SMILESCc1cc(=O)c(C(=O)NC2CCNC(C)C2)nn1-c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C19H21F3N4O2.ClH/c1-11-9-13(7-8-23-11)24-18(28)17-16(27)10-12(2)26(25-17)15-6-4-3-5-14(15)19(20,21)22;/h3-6,10-11,13,23H,7-9H2,1-2H3,(H,24,28);1H
InChIKeyVRUFZHACTVBHCN-UHFFFAOYSA-N
MW430.86 g/mol
LogP2.85
Rot. Bonds3

About 6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride

6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride (PubChem CID 120598465) has the molecular formula C19H22ClF3N4O2 and a molecular weight of 430.86 g/mol. Its IUPAC name is 6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
PubChem CID120598465
Molecular FormulaC19H22ClF3N4O2
Molecular Weight430.86 g/mol
Exact Mass430.14
IUPAC Name6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
SMILESCc1cc(=O)c(C(=O)NC2CCNC(C)C2)nn1-c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C19H21F3N4O2.ClH/c1-11-9-13(7-8-23-11)24-18(28)17-16(27)10-12(2)26(25-17)15-6-4-3-5-14(15)19(20,21)22;/h3-6,10-11,13,23H,7-9H2,1-2H3,(H,24,28);1H
InChIKeyVRUFZHACTVBHCN-UHFFFAOYSA-N
XLogP2.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.86
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride 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-(2-aminoethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119382037
N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide
CID 37019588
6-methyl-N-[2-(methylamino)ethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119499946
N-[2-(cyclohexanecarbonylamino)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55805670
N-(3-aminobutyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119494839
6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 43067379
N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 120599354
2-methyl-2-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]propanoic acid
CID 119187422
N-[2-[(2-fluorobenzoyl)amino]ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55974052
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 56558876
N-(2-hydroxypropyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78855377
6-methyl-4-oxo-N-(2-phenylsulfanylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 18208505

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride?
The IUPAC name of 6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride (CID 120598465) is 6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride is Cc1cc(=O)c(C(=O)NC2CCNC(C)C2)nn1-c1ccccc1C(F)(F)F.Cl.
What is the InChIKey of 6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride?
The InChIKey is VRUFZHACTVBHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2.ClH/c1-11-9-13(7-8-23-11)24-18(28)17-16(27)10-12(2)26(25-17)15-6-4-3-5-14(15)19(20,21)22;/h3-6,10-11,13,23H,7-9H2,1-2H3,(H,24,28);1H.
What are the key properties of 6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride?
6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride has a molecular weight of 430.86 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120598465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).