2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C13H16F3N3O — CID 60580963

IUPAC2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESC=CCN(CC(F)(F)F)C(=O)c1ccnc(N(C)C)c1
InChIInChI=1S/C13H16F3N3O/c1-4-7-19(9-13(14,15)16)12(20)10-5-6-17-11(8-10)18(2)3/h4-6,8H,1,7,9H2,2-3H3
InChIKeyMOJKLOKYIVEPAG-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.34
Rot. Bonds5

About 2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 60580963) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID60580963
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESC=CCN(CC(F)(F)F)C(=O)c1ccnc(N(C)C)c1
InChIInChI=1S/C13H16F3N3O/c1-4-7-19(9-13(14,15)16)12(20)10-5-6-17-11(8-10)18(2)3/h4-6,8H,1,7,9H2,2-3H3
InChIKeyMOJKLOKYIVEPAG-UHFFFAOYSA-N
XLogP2.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 60580963) is 2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is C=CCN(CC(F)(F)F)C(=O)c1ccnc(N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is MOJKLOKYIVEPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-4-7-19(9-13(14,15)16)12(20)10-5-6-17-11(8-10)18(2)3/h4-6,8H,1,7,9H2,2-3H3.
What are the key properties of 2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 60580963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).