N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

C10H8F3N3O — CID 113229640

IUPACN-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(CC#N)C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H8F3N3O/c1-16(5-4-14)9(17)8-3-2-7(6-15-8)10(11,12)13/h2-3,6H,5H2,1H3
InChIKeyPMYMOHYCOHQOIM-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.70
Rot. Bonds2

About N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 113229640) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID113229640
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC NameN-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(CC#N)C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H8F3N3O/c1-16(5-4-14)9(17)8-3-2-7(6-15-8)10(11,12)13/h2-3,6H,5H2,1H3
InChIKeyPMYMOHYCOHQOIM-UHFFFAOYSA-N
XLogP1.70
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908476
N-[(1S)-1-cyanoethyl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 124571272
4-[methyl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 115596387
N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909335
N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908272
2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
CID 115596384
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908477
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107492556
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide
CID 86783276
N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
CID 119552569
N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909425

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (CID 113229640) is N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is CN(CC#N)C(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is PMYMOHYCOHQOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-16(5-4-14)9(17)8-3-2-7(6-15-8)10(11,12)13/h2-3,6H,5H2,1H3.
What are the key properties of N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 243.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 113229640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).