2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide

C16H19F3N2O — CID 102555713

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2cccc(C(F)(F)F)n2)C1(C)C
InChIInChI=1S/C16H19F3N2O/c1-9(2)8-10-13(15(10,3)4)14(22)21-12-7-5-6-11(20-12)16(17,18)19/h5-8,10,13H,1-4H3,(H,20,21,22)
InChIKeyYQMIBTAFOBTNQP-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.28
Rot. Bonds3

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 102555713) has the molecular formula C16H19F3N2O and a molecular weight of 312.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID102555713
Molecular FormulaC16H19F3N2O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2cccc(C(F)(F)F)n2)C1(C)C
InChIInChI=1S/C16H19F3N2O/c1-9(2)8-10-13(15(10,3)4)14(22)21-12-7-5-6-11(20-12)16(17,18)19/h5-8,10,13H,1-4H3,(H,20,21,22)
InChIKeyYQMIBTAFOBTNQP-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 102555713) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)Nc2cccc(C(F)(F)F)n2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is YQMIBTAFOBTNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-9(2)8-10-13(15(10,3)4)14(22)21-12-7-5-6-11(20-12)16(17,18)19/h5-8,10,13H,1-4H3,(H,20,21,22).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 102555713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).