N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C19H20F3N7O — CID 25471520

IUPACN-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C19H20F3N7O/c1-27(12-14-4-2-3-5-15(14)19(20,21)22)18(30)13-8-10-28(11-9-13)17-7-6-16-23-25-26-29(16)24-17/h2-7,13H,8-12H2,1H3
InChIKeySIPXBUDCANKAEH-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.41
Rot. Bonds4

About N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 25471520) has the molecular formula C19H20F3N7O and a molecular weight of 419.41 g/mol. Its IUPAC name is N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID25471520
Molecular FormulaC19H20F3N7O
Molecular Weight419.41 g/mol
Exact Mass419.17
IUPAC NameN-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C19H20F3N7O/c1-27(12-14-4-2-3-5-15(14)19(20,21)22)18(30)13-8-10-28(11-9-13)17-7-6-16-23-25-26-29(16)24-17/h2-7,13H,8-12H2,1H3
InChIKeySIPXBUDCANKAEH-UHFFFAOYSA-N
XLogP2.41
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 25471520) is N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is SIPXBUDCANKAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O/c1-27(12-14-4-2-3-5-15(14)19(20,21)22)18(30)13-8-10-28(11-9-13)17-7-6-16-23-25-26-29(16)24-17/h2-7,13H,8-12H2,1H3.
What are the key properties of N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25471520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).