5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C18H17F4N3O3 — CID 166487195

IUPAC5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2F)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C18H17F4N3O3/c19-14-7-10(9-25-3-5-28-6-4-25)1-2-11(14)12-8-13(16(23)26)17(27)24-15(12)18(20,21)22/h1-2,7-8H,3-6,9H2,(H2,23,26)(H,24,27)
InChIKeyFPUSYEZIVNSQFA-UHFFFAOYSA-N
MW399.34 g/mol
LogP2.13
Rot. Bonds4

About 5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166487195) has the molecular formula C18H17F4N3O3 and a molecular weight of 399.34 g/mol. Its IUPAC name is 5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166487195
Molecular FormulaC18H17F4N3O3
Molecular Weight399.34 g/mol
Exact Mass399.12
IUPAC Name5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2F)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C18H17F4N3O3/c19-14-7-10(9-25-3-5-28-6-4-25)1-2-11(14)12-8-13(16(23)26)17(27)24-15(12)18(20,21)22/h1-2,7-8H,3-6,9H2,(H2,23,26)(H,24,27)
InChIKeyFPUSYEZIVNSQFA-UHFFFAOYSA-N
XLogP2.13
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166487195) is 5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2F)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is FPUSYEZIVNSQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O3/c19-14-7-10(9-25-3-5-28-6-4-25)1-2-11(14)12-8-13(16(23)26)17(27)24-15(12)18(20,21)22/h1-2,7-8H,3-6,9H2,(H2,23,26)(H,24,27).
What are the key properties of 5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 399.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166487195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).