2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C19H20F3N3O3 — CID 7950707

IUPAC2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H20F3N3O3/c1-2-28-18-14(4-3-7-23-18)17(26)24-15-12-13(19(20,21)22)5-6-16(15)25-8-10-27-11-9-25/h3-7,12H,2,8-11H2,1H3,(H,24,26)
InChIKeyXVNXOEYDIDISBY-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.59
Rot. Bonds5

About 2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 7950707) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID7950707
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H20F3N3O3/c1-2-28-18-14(4-3-7-23-18)17(26)24-15-12-13(19(20,21)22)5-6-16(15)25-8-10-27-11-9-25/h3-7,12H,2,8-11H2,1H3,(H,24,26)
InChIKeyXVNXOEYDIDISBY-UHFFFAOYSA-N
XLogP3.59
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 7950707) is 2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is XVNXOEYDIDISBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-2-28-18-14(4-3-7-23-18)17(26)24-15-12-13(19(20,21)22)5-6-16(15)25-8-10-27-11-9-25/h3-7,12H,2,8-11H2,1H3,(H,24,26).
What are the key properties of 2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 7950707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).