2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide

C11H13F3N2O2 — CID 103726330

IUPAC2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(O)C(F)(F)F)c(C)n1
InChIInChI=1S/C11H13F3N2O2/c1-6-3-4-8(7(2)16-6)10(18)15-5-9(17)11(12,13)14/h3-4,9,17H,5H2,1-2H3,(H,15,18)
InChIKeyFRRSCDYWMBOAHP-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.35
Rot. Bonds3

About 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide

2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 103726330) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
PubChem CID103726330
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(O)C(F)(F)F)c(C)n1
InChIInChI=1S/C11H13F3N2O2/c1-6-3-4-8(7(2)16-6)10(18)15-5-9(17)11(12,13)14/h3-4,9,17H,5H2,1-2H3,(H,15,18)
InChIKeyFRRSCDYWMBOAHP-UHFFFAOYSA-N
XLogP1.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114308850
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 65034246
2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811797
N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114302798
2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 65217615
1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
CID 103726312
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028
N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide
CID 111480117
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2,6-dimethylpyridine-3-carboxamide
CID 111110985
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,6-dimethylpyridine-3-carboxamide
CID 56785820

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide (CID 103726330) is 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCC(O)C(F)(F)F)c(C)n1.
What is the InChIKey of 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is FRRSCDYWMBOAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-6-3-4-8(7(2)16-6)10(18)15-5-9(17)11(12,13)14/h3-4,9,17H,5H2,1-2H3,(H,15,18).
What are the key properties of 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide?
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 103726330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).