2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride

C11H15Cl2F3N4O3 — CID 119957958

IUPAC2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride
SMILESCl.Cl.NC(=O)CC(N)C(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C11H13F3N4O3.2ClH/c12-11(13,14)5-21-9-2-1-6(4-17-9)18-10(20)7(15)3-8(16)19;;/h1-2,4,7H,3,5,15H2,(H2,16,19)(H,18,20);2*1H
InChIKeyDTFMBXZEVPXNGF-UHFFFAOYSA-N
MW379.17 g/mol
LogP1.01
Rot. Bonds6

About 2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride

2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride (PubChem CID 119957958) has the molecular formula C11H15Cl2F3N4O3 and a molecular weight of 379.17 g/mol. Its IUPAC name is 2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride
PubChem CID119957958
Molecular FormulaC11H15Cl2F3N4O3
Molecular Weight379.17 g/mol
Exact Mass378.05
IUPAC Name2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride
SMILESCl.Cl.NC(=O)CC(N)C(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C11H13F3N4O3.2ClH/c12-11(13,14)5-21-9-2-1-6(4-17-9)18-10(20)7(15)3-8(16)19;;/h1-2,4,7H,3,5,15H2,(H2,16,19)(H,18,20);2*1H
InChIKeyDTFMBXZEVPXNGF-UHFFFAOYSA-N
XLogP1.01
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174
3-amino-2-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 106111469
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
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
6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
CID 43700692
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride
CID 119955848
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
CID 47041273
(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide
CID 107570145
(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
CID 113353541

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride?
The IUPAC name of 2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride (CID 119957958) is 2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride is Cl.Cl.NC(=O)CC(N)C(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride?
The InChIKey is DTFMBXZEVPXNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O3.2ClH/c12-11(13,14)5-21-9-2-1-6(4-17-9)18-10(20)7(15)3-8(16)19;;/h1-2,4,7H,3,5,15H2,(H2,16,19)(H,18,20);2*1H.
What are the key properties of 2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride?
2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride has a molecular weight of 379.17 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride is sourced from PubChem (CID 119957958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).