N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

C11H10F3N3O — CID 124571272

IUPACN-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@@H](C#N)N(C)C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N3O/c1-7(5-15)17(2)10(18)9-4-3-8(6-16-9)11(12,13)14/h3-4,6-7H,1-2H3/t7-/m0/s1
InChIKeyOTUMRRCWJGWJFJ-ZETCQYMHSA-N
MW257.22 g/mol
LogP2.08
Rot. Bonds2

About N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 124571272) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID124571272
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC NameN-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@@H](C#N)N(C)C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N3O/c1-7(5-15)17(2)10(18)9-4-3-8(6-16-9)11(12,13)14/h3-4,6-7H,1-2H3/t7-/m0/s1
InChIKeyOTUMRRCWJGWJFJ-ZETCQYMHSA-N
XLogP2.08
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113229640
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
CID 115596384
N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908272
N-(2-amino-2-sulfanylideneethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908476
4-[methyl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 115596387
N-[(1S)-1-cyanoethyl]-N-methyl-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 129488415
N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909335
N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114389784
2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105117081
N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
CID 119552569
N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 177429162

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (CID 124571272) is N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is C[C@@H](C#N)N(C)C(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is OTUMRRCWJGWJFJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-7(5-15)17(2)10(18)9-4-3-8(6-16-9)11(12,13)14/h3-4,6-7H,1-2H3/t7-/m0/s1.
What are the key properties of N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 257.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 124571272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).