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

C18H18F3N3O3 — CID 166487382

IUPAC5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)15-13(9-14(16(22)25)17(26)23-15)12-3-1-11(2-4-12)10-24-5-7-27-8-6-24/h1-4,9H,5-8,10H2,(H2,22,25)(H,23,26)
InChIKeyGWUOZGGTMJELQQ-UHFFFAOYSA-N
MW381.35 g/mol
LogP1.99
Rot. Bonds4

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

5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166487382) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166487382
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)15-13(9-14(16(22)25)17(26)23-15)12-3-1-11(2-4-12)10-24-5-7-27-8-6-24/h1-4,9H,5-8,10H2,(H2,22,25)(H,23,26)
InChIKeyGWUOZGGTMJELQQ-UHFFFAOYSA-N
XLogP1.99
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166487382) is 5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GWUOZGGTMJELQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c19-18(20,21)15-13(9-14(16(22)25)17(26)23-15)12-3-1-11(2-4-12)10-24-5-7-27-8-6-24/h1-4,9H,5-8,10H2,(H2,22,25)(H,23,26).
What are the key properties of 5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(morpholin-4-ylmethyl)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166487382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).