2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone

C12H14F3N3O2 — CID 134461677

IUPAC2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESNCC(=O)c1ncc(C(F)(F)F)cc1N1CCOCC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-5-9(18-1-3-20-4-2-18)11(17-7-8)10(19)6-16/h5,7H,1-4,6,16H2
InChIKeyPHMYKGQRJOMIMG-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.08
Rot. Bonds3

About 2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone

2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 134461677) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID134461677
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESNCC(=O)c1ncc(C(F)(F)F)cc1N1CCOCC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-5-9(18-1-3-20-4-2-18)11(17-7-8)10(19)6-16/h5,7H,1-4,6,16H2
InChIKeyPHMYKGQRJOMIMG-UHFFFAOYSA-N
XLogP1.08
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-yl-6-(trifluoromethyl)pyridin-3-amine
CID 106747091
5-chloro-3-morpholin-4-ylpyridine-2-carboxamide
CID 166656624
4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine
CID 97180514
2-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 69272412
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
CID 126483070
1-[[3-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-1-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
CID 135306738
2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone
CID 170860466
2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
CID 117390089
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117115575
2-amino-1-(5-chloro-2-morpholin-4-ylphenyl)ethanone
CID 117390088
N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162620968
1-[[3-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea
CID 135306740

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 134461677) is 2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone is NCC(=O)c1ncc(C(F)(F)F)cc1N1CCOCC1.
What is the InChIKey of 2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is PHMYKGQRJOMIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)8-5-9(18-1-3-20-4-2-18)11(17-7-8)10(19)6-16/h5,7H,1-4,6,16H2.
What are the key properties of 2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone?
2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 289.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 134461677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).