N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide

C11H13F3N2O — CID 177429162

IUPACN,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C(=O)N(C)C)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H13F3N2O/c1-7(10(17)16(2)3)9-5-4-8(6-15-9)11(12,13)14/h4-7H,1-3H3
InChIKeyDLLNEEXBCGVBJH-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.29
Rot. Bonds2

About N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide

N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 177429162) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID177429162
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C(=O)N(C)C)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H13F3N2O/c1-7(10(17)16(2)3)9-5-4-8(6-15-9)11(12,13)14/h4-7H,1-3H3
InChIKeyDLLNEEXBCGVBJH-UHFFFAOYSA-N
XLogP2.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide
CID 169111965
2-(3-chlorobutan-2-yl)-5-(trifluoromethyl)pyridine
CID 63202926
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171864461
ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171866505
[5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol
CID 105103565
3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid
CID 171878081
N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 124571272
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 94160420

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 177429162) is N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C(=O)N(C)C)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is DLLNEEXBCGVBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-7(10(17)16(2)3)9-5-4-8(6-15-9)11(12,13)14/h4-7H,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 246.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 177429162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).