N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C9H9F3N2O — CID 148743590

IUPACN-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1CC(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-13-8(15)7-5-14-3-2-6(7)4-9(10,11)12/h2-3,5H,4H2,1H3,(H,13,15)
InChIKeyODIAHMKFTWYGFT-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.55
Rot. Bonds2

About N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 148743590) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID148743590
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC NameN-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1CC(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-13-8(15)7-5-14-3-2-6(7)4-9(10,11)12/h2-3,5H,4H2,1H3,(H,13,15)
InChIKeyODIAHMKFTWYGFT-UHFFFAOYSA-N
XLogP1.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
CID 163419095
[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid
CID 151478044
tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
CID 114131524
4-(aminomethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 68860386
3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 115645741

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 148743590) is N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CNC(=O)c1cnccc1CC(F)(F)F.
What is the InChIKey of N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is ODIAHMKFTWYGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-13-8(15)7-5-14-3-2-6(7)4-9(10,11)12/h2-3,5H,4H2,1H3,(H,13,15).
What are the key properties of N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 218.18 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 148743590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).