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

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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).