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

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Related Compounds

2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile
CID 66703677
2-[(4-chlorophenyl)methyl]-8-fluoro-6-(morpholin-4-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 154454919
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
CID 107694057
N-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138558089
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
(2,5-dichlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724256
2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide
CID 140972491
[[(2R)-4-[6-fluoro-7-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-2-methyl-2-methylsulfonylbutanoyl]amino] 2,2,2-trifluoroacetate
CID 137359540
5-[2-fluoro-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-3-carboxylic acid
CID 68760008
[1-carbamoyl-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-(4-fluorophenyl)benzoate
CID 90859592
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468

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).