N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C19H18F3N5O — CID 174579235

IUPACN-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)15-3-1-2-13(10-15)12-27-8-6-14(7-9-27)18(28)24-17-5-4-16(11-23)25-26-17/h1-5,10,14H,6-9,12H2,(H,24,26,28)
InChIKeyMAVADCMWJRXVES-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.22
Rot. Bonds4

About N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 174579235) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID174579235
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC NameN-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)15-3-1-2-13(10-15)12-27-8-6-14(7-9-27)18(28)24-17-5-4-16(11-23)25-26-17/h1-5,10,14H,6-9,12H2,(H,24,26,28)
InChIKeyMAVADCMWJRXVES-UHFFFAOYSA-N
XLogP3.22
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide
CID 174579240
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
N'-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboximidamide
CID 77038991
6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine
CID 91045061
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
N-(2-cyanoethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 34706072
pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 25448752
5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2H-triazole-4-carbonitrile
CID 122479017
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 25474147
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531357

Frequently Asked Questions

What is the IUPAC name of N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 174579235) is N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is N#Cc1ccc(NC(=O)C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1.
What is the InChIKey of N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is MAVADCMWJRXVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c20-19(21,22)15-3-1-2-13(10-15)12-27-8-6-14(7-9-27)18(28)24-17-5-4-16(11-23)25-26-17/h1-5,10,14H,6-9,12H2,(H,24,26,28).
What are the key properties of N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 174579235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).