N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C18H20F3N3O2 — CID 51126544

IUPACN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCN(C)Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1
InChIInChI=1S/C18H20F3N3O2/c1-3-24(2)11-13-6-4-5-12(9-13)10-22-16(25)14-7-8-15(18(19,20)21)23-17(14)26/h4-9H,3,10-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMZXNUZDFULYNRG-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.78
Rot. Bonds6

About N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 51126544) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID51126544
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCN(C)Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1
InChIInChI=1S/C18H20F3N3O2/c1-3-24(2)11-13-6-4-5-12(9-13)10-22-16(25)14-7-8-15(18(19,20)21)23-17(14)26/h4-9H,3,10-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMZXNUZDFULYNRG-UHFFFAOYSA-N
XLogP2.78
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 51126544) is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCN(C)Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MZXNUZDFULYNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-3-24(2)11-13-6-4-5-12(9-13)10-22-16(25)14-7-8-15(18(19,20)21)23-17(14)26/h4-9H,3,10-11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 51126544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).