acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide

C12H16F3N3O2 — CID 169111965

IUPACacetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide
SMILESCC(N)=O.CC(c1ccc(C(F)(F)F)cn1)N(C)C=O
InChIInChI=1S/C10H11F3N2O.C2H5NO/c1-7(15(2)6-16)9-4-3-8(5-14-9)10(11,12)13;1-2(3)4/h3-7H,1-2H3;1H3,(H2,3,4)
InChIKeyBSFZJOPILPSYLL-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.74
Rot. Bonds3

About acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide

acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide (PubChem CID 169111965) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide.

Molecular Properties

Compound Nameacetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide
PubChem CID169111965
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Nameacetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide
SMILESCC(N)=O.CC(c1ccc(C(F)(F)F)cn1)N(C)C=O
InChIInChI=1S/C10H11F3N2O.C2H5NO/c1-7(15(2)6-16)9-4-3-8(5-14-9)10(11,12)13;1-2(3)4/h3-7H,1-2H3;1H3,(H2,3,4)
InChIKeyBSFZJOPILPSYLL-UHFFFAOYSA-N
XLogP1.74
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 177429162
2-(3-chlorobutan-2-yl)-5-(trifluoromethyl)pyridine
CID 63202926
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
methyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171864461
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171866505
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 172957398
N-methyl-N-[(E)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 147524981
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride
CID 174057204
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol
CID 105127410
3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid
CID 171878081

Frequently Asked Questions

What is the IUPAC name of acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide?
The IUPAC name of acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide (CID 169111965) is acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide.
What is the SMILES notation for acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide?
The canonical SMILES for acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide is CC(N)=O.CC(c1ccc(C(F)(F)F)cn1)N(C)C=O.
What is the InChIKey of acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide?
The InChIKey is BSFZJOPILPSYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O.C2H5NO/c1-7(15(2)6-16)9-4-3-8(5-14-9)10(11,12)13;1-2(3)4/h3-7H,1-2H3;1H3,(H2,3,4).
What are the key properties of acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide?
acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide has a molecular weight of 291.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide is sourced from PubChem (CID 169111965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).