6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C19H21F3N4O — CID 71778636

IUPAC6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)13-23-18(27)16-6-7-17(25-24-16)26-10-8-15(9-11-26)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,23,27)
InChIKeyWUIMTMKXYMJCSU-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.23
Rot. Bonds5

About 6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 71778636) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID71778636
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)13-23-18(27)16-6-7-17(25-24-16)26-10-8-15(9-11-26)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,23,27)
InChIKeyWUIMTMKXYMJCSU-UHFFFAOYSA-N
XLogP3.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 71778636) is 6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is O=C(NCC(F)(F)F)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is WUIMTMKXYMJCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c20-19(21,22)13-23-18(27)16-6-7-17(25-24-16)26-10-8-15(9-11-26)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,23,27).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 71778636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).