2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide

C12H16F3N3O2 — CID 79195926

IUPAC2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O2/c1-8(5-16-2)11(19)18-9-3-4-10(17-6-9)20-7-12(13,14)15/h3-4,6,8,16H,5,7H2,1-2H3,(H,18,19)
InChIKeyYPEHDXQBXRDBKG-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.82
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide

2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide (PubChem CID 79195926) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
PubChem CID79195926
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O2/c1-8(5-16-2)11(19)18-9-3-4-10(17-6-9)20-7-12(13,14)15/h3-4,6,8,16H,5,7H2,1-2H3,(H,18,19)
InChIKeyYPEHDXQBXRDBKG-UHFFFAOYSA-N
XLogP1.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 119878544
(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
2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride
CID 119957958
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893837
(2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide
CID 94641374
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
N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 81489773
N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide
CID 46478211
2-methyl-3-(methylamino)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 119744421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide (CID 79195926) is 2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide is CNCC(C)C(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide?
The InChIKey is YPEHDXQBXRDBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-8(5-16-2)11(19)18-9-3-4-10(17-6-9)20-7-12(13,14)15/h3-4,6,8,16H,5,7H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide?
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide has a molecular weight of 291.27 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide is sourced from PubChem (CID 79195926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).