6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C19H21F3N4O — CID 109125825

IUPAC6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C19H21F3N4O/c1-2-15-8-3-4-11-26(15)17-10-9-16(24-25-17)18(27)23-14-7-5-6-13(12-14)19(20,21)22/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,23,27)
InChIKeyPXTGZCAEJUAZKV-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.52
Rot. Bonds4

About 6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 109125825) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID109125825
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C19H21F3N4O/c1-2-15-8-3-4-11-26(15)17-10-9-16(24-25-17)18(27)23-14-7-5-6-13(12-14)19(20,21)22/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,23,27)
InChIKeyPXTGZCAEJUAZKV-UHFFFAOYSA-N
XLogP4.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109125838
5-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109288653
6-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111233
6-(2-ethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109125855
N-[2-(dimethylamino)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109115393
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
2-(2-ethylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312516
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109123335
2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72887597
(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97277081
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847153

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 109125825) is 6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CCC1CCCCN1c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is PXTGZCAEJUAZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-2-15-8-3-4-11-26(15)17-10-9-16(24-25-17)18(27)23-14-7-5-6-13(12-14)19(20,21)22/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,23,27).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109125825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).