1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

C18H19F3N2O3 — CID 47049056

IUPAC1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C18H19F3N2O3/c1-26-11-10-23-12-14(4-7-16(23)24)17(25)22-9-8-13-2-5-15(6-3-13)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,22,25)
InChIKeyMPXMGQJXFJGTDP-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.49
Rot. Bonds7

About 1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 47049056) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID47049056
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C18H19F3N2O3/c1-26-11-10-23-12-14(4-7-16(23)24)17(25)22-9-8-13-2-5-15(6-3-13)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,22,25)
InChIKeyMPXMGQJXFJGTDP-UHFFFAOYSA-N
XLogP2.49
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (CID 47049056) is 1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is COCCn1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is MPXMGQJXFJGTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-26-11-10-23-12-14(4-7-16(23)24)17(25)22-9-8-13-2-5-15(6-3-13)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,22,25).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 47049056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).