(E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide

C12H13F3N2O2 — CID 73293118

IUPAC(E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide
SMILESCOc1ncc(C(F)(F)F)cc1/C=C/C(=O)N(C)C
InChIInChI=1S/C12H13F3N2O2/c1-17(2)10(18)5-4-8-6-9(12(13,14)15)7-16-11(8)19-3/h4-7H,1-3H3/b5-4+
InChIKeyQYNIDDGJXSCLRQ-SNAWJCMRSA-N
MW274.24 g/mol
LogP2.21
Rot. Bonds3

About (E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide

(E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide (PubChem CID 73293118) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is (E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide
PubChem CID73293118
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name(E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide
SMILESCOc1ncc(C(F)(F)F)cc1/C=C/C(=O)N(C)C
InChIInChI=1S/C12H13F3N2O2/c1-17(2)10(18)5-4-8-6-9(12(13,14)15)7-16-11(8)19-3/h4-7H,1-3H3/b5-4+
InChIKeyQYNIDDGJXSCLRQ-SNAWJCMRSA-N
XLogP2.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide (CID 73293118) is (E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide is COc1ncc(C(F)(F)F)cc1/C=C/C(=O)N(C)C.
What is the InChIKey of (E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide?
The InChIKey is QYNIDDGJXSCLRQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-17(2)10(18)5-4-8-6-9(12(13,14)15)7-16-11(8)19-3/h4-7H,1-3H3/b5-4+.
What are the key properties of (E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide?
(E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide has a molecular weight of 274.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 73293118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).