2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide

C13H19F3N4O — CID 102717832

IUPAC2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(C(F)(F)F)cc(NC)n1
InChIInChI=1S/C13H19F3N4O/c1-5-20(8-12(21)19(3)4)11-7-9(13(14,15)16)6-10(17-2)18-11/h6-7H,5,8H2,1-4H3,(H,17,18)
InChIKeyMOQFUYIXCBNBRI-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.06
Rot. Bonds5

About 2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide

2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide (PubChem CID 102717832) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
PubChem CID102717832
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(C(F)(F)F)cc(NC)n1
InChIInChI=1S/C13H19F3N4O/c1-5-20(8-12(21)19(3)4)11-7-9(13(14,15)16)6-10(17-2)18-11/h6-7H,5,8H2,1-4H3,(H,17,18)
InChIKeyMOQFUYIXCBNBRI-UHFFFAOYSA-N
XLogP2.06
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
CID 11762017
1-{2-[2-(5-Trifluoromethyl-pyridin-2-ylamino)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 11056962
1-{2-[2-(3-Trifluoromethyl-pyridin-2-ylamino)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 11727562
2-(3-Amino-6-methyl-2-oxo-2H-pyrazin-1-yl)-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide
CID 44289619
2-(methylamino)-N-(4-methylpyridin-2-yl)acetamide
CID 28399469
2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyridin-1-yl)-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide
CID 44289570
N-tert-butyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 2740574
N~2~-methyl-N~1~-{1-[5-(trifluoromethyl)-2-pyridinyl]-3-piperidinyl}glycinamide
CID 56883883
D 13223 (Flupirtine Metabolite)
CID 185408
N-[[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
CID 11566338
1-(4,6-Dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(methylamino)ethyl]urea;dihydrobromide
CID 20339445
Acetamide, 2-(diethylamino)-N-(4-methyl-2-pyridyl)-, dihydrochloride
CID 3060143

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide (CID 102717832) is 2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1cc(C(F)(F)F)cc(NC)n1.
What is the InChIKey of 2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide?
The InChIKey is MOQFUYIXCBNBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-5-20(8-12(21)19(3)4)11-7-9(13(14,15)16)6-10(17-2)18-11/h6-7H,5,8H2,1-4H3,(H,17,18).
What are the key properties of 2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide?
2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide has a molecular weight of 304.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 102717832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).