2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride

C15H22Cl2F3N3O3 — CID 120797967

IUPAC2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCc1cccnc1OCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H20F3N3O3.2ClH/c16-15(17,18)9-24-14-11(2-1-5-20-14)8-21-13(22)12(19)10-3-6-23-7-4-10;;/h1-2,5,10,12H,3-4,6-9,19H2,(H,21,22);2*1H
InChIKeyHZQPVRRORQDHQE-UHFFFAOYSA-N
MW420.26 g/mol
LogP2.24
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride (PubChem CID 120797967) has the molecular formula C15H22Cl2F3N3O3 and a molecular weight of 420.26 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
PubChem CID120797967
Molecular FormulaC15H22Cl2F3N3O3
Molecular Weight420.26 g/mol
Exact Mass419.10
IUPAC Name2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCc1cccnc1OCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H20F3N3O3.2ClH/c16-15(17,18)9-24-14-11(2-1-5-20-14)8-21-13(22)12(19)10-3-6-23-7-4-10;;/h1-2,5,10,12H,3-4,6-9,19H2,(H,21,22);2*1H
InChIKeyHZQPVRRORQDHQE-UHFFFAOYSA-N
XLogP2.24
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride with MolForge

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 120789376
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 94029250
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119847157
(2R)-2-pyrazol-1-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 94022211
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120791678
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000
2-amino-2-(oxan-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide;dihydrochloride
CID 120800029

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride (CID 120797967) is 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NCc1cccnc1OCC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride?
The InChIKey is HZQPVRRORQDHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3.2ClH/c16-15(17,18)9-24-14-11(2-1-5-20-14)8-21-13(22)12(19)10-3-6-23-7-4-10;;/h1-2,5,10,12H,3-4,6-9,19H2,(H,21,22);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride has a molecular weight of 420.26 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 120797967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).