N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide

C15H20F3N3O — CID 126497105

IUPACN-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1cnccc1C(F)(F)F)N1CCC(C)CC1
InChIInChI=1S/C15H20F3N3O/c1-3-21(20-8-5-11(2)6-9-20)14(22)12-10-19-7-4-13(12)15(16,17)18/h4,7,10-11H,3,5-6,8-9H2,1-2H3
InChIKeyGQMOZSMBSHHUAI-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.21
Rot. Bonds3

About N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide

N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 126497105) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID126497105
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1cnccc1C(F)(F)F)N1CCC(C)CC1
InChIInChI=1S/C15H20F3N3O/c1-3-21(20-8-5-11(2)6-9-20)14(22)12-10-19-7-4-13(12)15(16,17)18/h4,7,10-11H,3,5-6,8-9H2,1-2H3
InChIKeyGQMOZSMBSHHUAI-UHFFFAOYSA-N
XLogP3.21
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709614
(4-propylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707627
N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2727017
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 103168174
N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2727007
N,N'-bis(pyrimidin-2-ylmethyl)-N,N'-bis[4-(trifluoromethyl)pyridine-3-carbonyl]oxamide
CID 162568031
N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 138004708
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
N-[2-(methoxymethoxyimino)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139979934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 126497105) is N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide is CCN(C(=O)c1cnccc1C(F)(F)F)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GQMOZSMBSHHUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-3-21(20-8-5-11(2)6-9-20)14(22)12-10-19-7-4-13(12)15(16,17)18/h4,7,10-11H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 126497105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).