N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide

C12H14F3N3O3 — CID 47041273

IUPACN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)N1CCOCC1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)8-21-10-2-1-9(7-16-10)17-11(19)18-3-5-20-6-4-18/h1-2,7H,3-6,8H2,(H,17,19)
InChIKeyUMFYQJBTAKOTPK-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.89
Rot. Bonds3

About N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide

N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 47041273) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
PubChem CID47041273
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC NameN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)N1CCOCC1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)8-21-10-2-1-9(7-16-10)17-11(19)18-3-5-20-6-4-18/h1-2,7H,3-6,8H2,(H,17,19)
InChIKeyUMFYQJBTAKOTPK-UHFFFAOYSA-N
XLogP1.89
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorobenzoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxamide
CID 112829411
4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 47041270
4-(pyridin-3-ylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 55743974
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide
CID 56824373
3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 128998957
3-[(2S)-oxolan-2-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 94118334
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
CID 134122682
N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2746155
1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide
CID 154764068
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide (CID 47041273) is N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide is O=C(Nc1ccc(OCC(F)(F)F)nc1)N1CCOCC1.
What is the InChIKey of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide?
The InChIKey is UMFYQJBTAKOTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c13-12(14,15)8-21-10-2-1-9(7-16-10)17-11(19)18-3-5-20-6-4-18/h1-2,7H,3-6,8H2,(H,17,19).
What are the key properties of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide?
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 305.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 47041273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).