2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide

C18H19F3N4O2 — CID 109096385

IUPAC2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
SMILESCN(C)CCNC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H19F3N4O2/c1-25(2)10-9-22-16(26)14-7-4-8-15(24-14)17(27)23-13-6-3-5-12(11-13)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyYNNKNDCCUXYXSI-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.64
Rot. Bonds6

About 2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide

2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide (PubChem CID 109096385) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
PubChem CID109096385
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
SMILESCN(C)CCNC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H19F3N4O2/c1-25(2)10-9-22-16(26)14-7-4-8-15(24-14)17(27)23-13-6-3-5-12(11-13)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyYNNKNDCCUXYXSI-UHFFFAOYSA-N
XLogP2.64
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234
6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096412
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109207209
2-N-[2-(dimethylamino)ethyl]-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 109096394
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109301970
2-N-[2-(dimethylamino)ethyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109096349
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108960617

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide (CID 109096385) is 2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide is CN(C)CCNC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is YNNKNDCCUXYXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-25(2)10-9-22-16(26)14-7-4-8-15(24-14)17(27)23-13-6-3-5-12(11-13)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).