N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide

C17H22F3N3O3 — CID 132972415

IUPACN-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide
SMILESCCOCC1CN(C(=O)Nc2cc(C(F)(F)F)cc(C3CC3)n2)CCO1
InChIInChI=1S/C17H22F3N3O3/c1-2-25-10-13-9-23(5-6-26-13)16(24)22-15-8-12(17(18,19)20)7-14(21-15)11-3-4-11/h7-8,11,13H,2-6,9-10H2,1H3,(H,21,22,24)
InChIKeyWESGZQITDFNFRZ-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.25
Rot. Bonds5

About N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide

N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide (PubChem CID 132972415) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide
PubChem CID132972415
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC NameN-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide
SMILESCCOCC1CN(C(=O)Nc2cc(C(F)(F)F)cc(C3CC3)n2)CCO1
InChIInChI=1S/C17H22F3N3O3/c1-2-25-10-13-9-23(5-6-26-13)16(24)22-15-8-12(17(18,19)20)7-14(21-15)11-3-4-11/h7-8,11,13H,2-6,9-10H2,1H3,(H,21,22,24)
InChIKeyWESGZQITDFNFRZ-UHFFFAOYSA-N
XLogP3.25
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide
CID 154765439
2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide
CID 87679982
2-[(3,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69065222
N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)phenoxy]methyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 87679538
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide
CID 154765252
2-[(2-chloro-5-fluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide
CID 24899481
2-[(3-chloro-4-fluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69071497
2-[(2-chloro-3-pyridinyl)oxymethyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 87680787
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate
CID 3446701
[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136555325
2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 69073211

Frequently Asked Questions

What is the IUPAC name of N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide (CID 132972415) is N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide is CCOCC1CN(C(=O)Nc2cc(C(F)(F)F)cc(C3CC3)n2)CCO1.
What is the InChIKey of N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide?
The InChIKey is WESGZQITDFNFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-2-25-10-13-9-23(5-6-26-13)16(24)22-15-8-12(17(18,19)20)7-14(21-15)11-3-4-11/h7-8,11,13H,2-6,9-10H2,1H3,(H,21,22,24).
What are the key properties of N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide?
N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 132972415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).