6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C17H16F3N3O3 — CID 24605123

IUPAC6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)26-14-4-2-13(3-5-14)22-16(24)12-1-6-15(21-11-12)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,22,24)
InChIKeySTXWUCFVEZUQEX-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.07
Rot. Bonds4

About 6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 24605123) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID24605123
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)26-14-4-2-13(3-5-14)22-16(24)12-1-6-15(21-11-12)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,22,24)
InChIKeySTXWUCFVEZUQEX-UHFFFAOYSA-N
XLogP3.07
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 24605123) is 6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is STXWUCFVEZUQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)26-14-4-2-13(3-5-14)22-16(24)12-1-6-15(21-11-12)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,22,24).
What are the key properties of 6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 24605123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).