N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C18H20F3N3O2 — CID 1478479

IUPACN-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C18H20F3N3O2/c1-23(2)10-8-22-16(25)15-7-4-9-24(17(15)26)12-13-5-3-6-14(11-13)18(19,20)21/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,25)
InChIKeyAJUMIPWSATUTFO-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 1478479) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID1478479
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C18H20F3N3O2/c1-23(2)10-8-22-16(25)15-7-4-9-24(17(15)26)12-13-5-3-6-14(11-13)18(19,20)21/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,25)
InChIKeyAJUMIPWSATUTFO-UHFFFAOYSA-N
XLogP2.21
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 1478479) is N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is CN(C)CCNC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is AJUMIPWSATUTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-23(2)10-8-22-16(25)15-7-4-9-24(17(15)26)12-13-5-3-6-14(11-13)18(19,20)21/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 1478479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).