4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide

C18H19F3N4O2 — CID 109083508

IUPAC4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
SMILESCN(C)CCNC(=O)c1ccnc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N4O2/c1-25(2)10-9-23-16(26)12-7-8-22-15(11-12)17(27)24-14-5-3-13(4-6-14)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyIIIOIOXUFGQQQB-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.64
Rot. Bonds6

About 4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide

4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide (PubChem CID 109083508) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
PubChem CID109083508
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
SMILESCN(C)CCNC(=O)c1ccnc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N4O2/c1-25(2)10-9-23-16(26)12-7-8-22-15(11-12)17(27)24-14-5-3-13(4-6-14)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyIIIOIOXUFGQQQB-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

2-N-[3-(dimethylamino)propyl]-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109084104
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518
2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide
CID 109083492
1-N-[3-(dimethylamino)propyl]-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053461
4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109083962
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109207209
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109081616
2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109084095
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide (CID 109083508) is 4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide is CN(C)CCNC(=O)c1ccnc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The InChIKey is IIIOIOXUFGQQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-25(2)10-9-23-16(26)12-7-8-22-15(11-12)17(27)24-14-5-3-13(4-6-14)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-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 4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).