5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C11H13ClF3N3O2 — CID 107486134

IUPAC5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N(CCO)CC(F)(F)F)cc1Cl
InChIInChI=1S/C11H13ClF3N3O2/c1-16-9-8(12)4-7(5-17-9)10(20)18(2-3-19)6-11(13,14)15/h4-5,19H,2-3,6H2,1H3,(H,16,17)
InChIKeyLHMUFPALCOLYTB-UHFFFAOYSA-N
MW311.69 g/mol
LogP1.77
Rot. Bonds5

About 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 107486134) has the molecular formula C11H13ClF3N3O2 and a molecular weight of 311.69 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID107486134
Molecular FormulaC11H13ClF3N3O2
Molecular Weight311.69 g/mol
Exact Mass311.06
IUPAC Name5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N(CCO)CC(F)(F)F)cc1Cl
InChIInChI=1S/C11H13ClF3N3O2/c1-16-9-8(12)4-7(5-17-9)10(20)18(2-3-19)6-11(13,14)15/h4-5,19H,2-3,6H2,1H3,(H,16,17)
InChIKeyLHMUFPALCOLYTB-UHFFFAOYSA-N
XLogP1.77
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
CID 62170738
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181483
5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 107485988
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
N-(2-hydroxyethyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486122
6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 103857272
5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 106433045
6-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 66462930
5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180209
5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 112664211
5-chloro-6-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180282

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 107486134) is 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CNc1ncc(C(=O)N(CCO)CC(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is LHMUFPALCOLYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O2/c1-16-9-8(12)4-7(5-17-9)10(20)18(2-3-19)6-11(13,14)15/h4-5,19H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 311.69 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 107486134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).