2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide

C12H15F4N3O2 — CID 105386389

IUPAC2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCCOCC(F)(F)F)c1F
InChIInChI=1S/C12H15F4N3O2/c1-2-17-10-9(13)8(3-4-18-10)11(20)19-5-6-21-7-12(14,15)16/h3-4H,2,5-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyIIJYSVQQZVOAGA-UHFFFAOYSA-N
MW309.26 g/mol
LogP1.96
Rot. Bonds7

About 2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide

2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide (PubChem CID 105386389) has the molecular formula C12H15F4N3O2 and a molecular weight of 309.26 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
PubChem CID105386389
Molecular FormulaC12H15F4N3O2
Molecular Weight309.26 g/mol
Exact Mass309.11
IUPAC Name2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCCOCC(F)(F)F)c1F
InChIInChI=1S/C12H15F4N3O2/c1-2-17-10-9(13)8(3-4-18-10)11(20)19-5-6-21-7-12(14,15)16/h3-4H,2,5-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyIIJYSVQQZVOAGA-UHFFFAOYSA-N
XLogP1.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
CID 105387150
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379
N-[2-(tert-butylamino)-2-oxoethyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387072
2-(ethylamino)-3-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 105384864
N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384494
2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 62865819
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
2-(ethylamino)-3-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 105386049
2-(ethylamino)-3-fluoro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385395
2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105386164
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 106241241

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide (CID 105386389) is 2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide is CCNc1nccc(C(=O)NCCOCC(F)(F)F)c1F.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide?
The InChIKey is IIJYSVQQZVOAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O2/c1-2-17-10-9(13)8(3-4-18-10)11(20)19-5-6-21-7-12(14,15)16/h3-4H,2,5-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide?
2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide has a molecular weight of 309.26 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105386389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).