6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C12H14F3N3O2 — CID 18142338

IUPAC6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-17-11(19)9-1-2-10(16-7-9)18-3-5-20-6-4-18/h1-2,7H,3-6,8H2,(H,17,19)
InChIKeyCQKFRECYVDRRMO-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.21
Rot. Bonds3

About 6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 18142338) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID18142338
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-17-11(19)9-1-2-10(16-7-9)18-3-5-20-6-4-18/h1-2,7H,3-6,8H2,(H,17,19)
InChIKeyCQKFRECYVDRRMO-UHFFFAOYSA-N
XLogP1.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 18142338) is 6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is O=C(NCC(F)(F)F)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is CQKFRECYVDRRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)8-17-11(19)9-1-2-10(16-7-9)18-3-5-20-6-4-18/h1-2,7H,3-6,8H2,(H,17,19).
What are the key properties of 6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 18142338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).