6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide

C11H13F3N2O2 — CID 136518357

IUPAC6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC(C)(O)C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2/c1-7-4-3-5-8(16-7)9(17)15-6-10(2,18)11(12,13)14/h3-5,18H,6H2,1-2H3,(H,15,17)
InChIKeySDGYDVWSNZRFTQ-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.43
Rot. Bonds3

About 6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide

6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide (PubChem CID 136518357) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
PubChem CID136518357
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC(C)(O)C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2/c1-7-4-3-5-8(16-7)9(17)15-6-10(2,18)11(12,13)14/h3-5,18H,6H2,1-2H3,(H,15,17)
InChIKeySDGYDVWSNZRFTQ-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide
CID 95773940
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 95627816
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
CID 94540901
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide
CID 115456878
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide
CID 114295056
N-(2-hydroxy-2-methylpropyl)-N,6-dimethylpyridine-2-carboxamide
CID 79290588
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 119404313
N-(2-hydroxy-2-methylpropyl)-6-methylpyridazine-3-carboxamide
CID 118545198

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide (CID 136518357) is 6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide is Cc1cccc(C(=O)NCC(C)(O)C(F)(F)F)n1.
What is the InChIKey of 6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is SDGYDVWSNZRFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-7-4-3-5-8(16-7)9(17)15-6-10(2,18)11(12,13)14/h3-5,18H,6H2,1-2H3,(H,15,17).
What are the key properties of 6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide?
6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 136518357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).