2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C16H23F3N4O — CID 70735726

IUPAC2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C1CCN(c2nc(C(F)(F)F)ccc2C(N)=O)CC1)N(C)C
InChIInChI=1S/C16H23F3N4O/c1-10(22(2)3)11-6-8-23(9-7-11)15-12(14(20)24)4-5-13(21-15)16(17,18)19/h4-5,10-11H,6-9H2,1-3H3,(H2,20,24)
InChIKeyJEXUDNCAILJZDQ-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.37
Rot. Bonds4

About 2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 70735726) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID70735726
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C1CCN(c2nc(C(F)(F)F)ccc2C(N)=O)CC1)N(C)C
InChIInChI=1S/C16H23F3N4O/c1-10(22(2)3)11-6-8-23(9-7-11)15-12(14(20)24)4-5-13(21-15)16(17,18)19/h4-5,10-11H,6-9H2,1-3H3,(H2,20,24)
InChIKeyJEXUDNCAILJZDQ-UHFFFAOYSA-N
XLogP2.37
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875911
2-[3-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875720
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 115965284
[1-[3-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174652149
2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79874724
2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103577515
2-(4-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876517
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875890
2-[1-cyclopropylethyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877446
2-(3-oxo-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875826
2-(azocan-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876505
2-(azepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877717

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 70735726) is 2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C1CCN(c2nc(C(F)(F)F)ccc2C(N)=O)CC1)N(C)C.
What is the InChIKey of 2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JEXUDNCAILJZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-10(22(2)3)11-6-8-23(9-7-11)15-12(14(20)24)4-5-13(21-15)16(17,18)19/h4-5,10-11H,6-9H2,1-3H3,(H2,20,24).
What are the key properties of 2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 70735726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).