N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

C12H14F3N3O2 — CID 126801081

IUPACN-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESO=C(Nc1ccccn1)C1COCCN1CC(F)(F)F
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-18-5-6-20-7-9(18)11(19)17-10-3-1-2-4-16-10/h1-4,9H,5-8H2,(H,16,17,19)
InChIKeyBSKPDNUCZJTPAN-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.28
Rot. Bonds3

About N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (PubChem CID 126801081) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
PubChem CID126801081
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESO=C(Nc1ccccn1)C1COCCN1CC(F)(F)F
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-18-5-6-20-7-9(18)11(19)17-10-3-1-2-4-16-10/h1-4,9H,5-8H2,(H,16,17,19)
InChIKeyBSKPDNUCZJTPAN-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The IUPAC name of N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (CID 126801081) is N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The canonical SMILES for N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is O=C(Nc1ccccn1)C1COCCN1CC(F)(F)F.
What is the InChIKey of N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The InChIKey is BSKPDNUCZJTPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)8-18-5-6-20-7-9(18)11(19)17-10-3-1-2-4-16-10/h1-4,9H,5-8H2,(H,16,17,19).
What are the key properties of N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is sourced from PubChem (CID 126801081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).