2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C11H13ClF3N3O — CID 55047028

IUPAC2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)CC(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H13ClF3N3O/c1-3-16-9-5-7(4-8(12)17-9)10(19)18(2)6-11(13,14)15/h4-5H,3,6H2,1-2H3,(H,16,17)
InChIKeyQEFHCUKDXMBALR-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 55047028) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID55047028
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)CC(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H13ClF3N3O/c1-3-16-9-5-7(4-8(12)17-9)10(19)18(2)6-11(13,14)15/h4-5H,3,6H2,1-2H3,(H,16,17)
InChIKeyQEFHCUKDXMBALR-UHFFFAOYSA-N
XLogP2.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 55047028) is 2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is CCNc1cc(C(=O)N(C)CC(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is QEFHCUKDXMBALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-3-16-9-5-7(4-8(12)17-9)10(19)18(2)6-11(13,14)15/h4-5H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 295.69 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55047028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).