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

C14H18F3N3O3 — CID 138042517

IUPAC3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)Nc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O3/c1-2-11-8-22-6-5-20(11)13(21)19-10-3-4-18-12(7-10)23-9-14(15,16)17/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,18,19,21)
InChIKeyFRBCDCCAVUEZIV-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.67
Rot. Bonds4

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

3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide (PubChem CID 138042517) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide
PubChem CID138042517
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)Nc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O3/c1-2-11-8-22-6-5-20(11)13(21)19-10-3-4-18-12(7-10)23-9-14(15,16)17/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,18,19,21)
InChIKeyFRBCDCCAVUEZIV-UHFFFAOYSA-N
XLogP2.67
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
CID 61202010
4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide
CID 138043224
(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide
CID 96518024
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
[4-(ethylamino)-2-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 55047074
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
CID 61201654
N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide
CID 126839142
(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
CID 95287089
N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide
CID 75374576
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
CID 47041273
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide (CID 138042517) is 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide is CCC1COCCN1C(=O)Nc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide?
The InChIKey is FRBCDCCAVUEZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-2-11-8-22-6-5-20(11)13(21)19-10-3-4-18-12(7-10)23-9-14(15,16)17/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,18,19,21).
What are the key properties of 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide?
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 138042517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).