6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C12H16F3N3O2 — CID 103857272

IUPAC6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N(CCO)CC(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3O2/c1-17(2)10-4-3-9(7-16-10)11(20)18(5-6-19)8-12(13,14)15/h3-4,7,19H,5-6,8H2,1-2H3
InChIKeyHPUSUDMLAFNEQG-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.14
Rot. Bonds5

About 6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 103857272) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID103857272
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N(CCO)CC(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3O2/c1-17(2)10-4-3-9(7-16-10)11(20)18(5-6-19)8-12(13,14)15/h3-4,7,19H,5-6,8H2,1-2H3
InChIKeyHPUSUDMLAFNEQG-UHFFFAOYSA-N
XLogP1.14
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 66462930
2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 103857495
N-cyclopropyl-6-(dimethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 43576622
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78884593
5-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107479775
4-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107479787
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103915592
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486134
[6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid
CID 174435499
4-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486111

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 103857272) is 6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CN(C)c1ccc(C(=O)N(CCO)CC(F)(F)F)cn1.
What is the InChIKey of 6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is HPUSUDMLAFNEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-17(2)10-4-3-9(7-16-10)11(20)18(5-6-19)8-12(13,14)15/h3-4,7,19H,5-6,8H2,1-2H3.
What are the key properties of 6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 103857272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).