2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

C10H8F3N3O — CID 70015431

IUPAC2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1c(C(F)(F)F)ccnc1CC#N
InChIInChI=1S/C10H8F3N3O/c1-15-9(17)8-6(10(11,12)13)3-5-16-7(8)2-4-14/h3,5H,2H2,1H3,(H,15,17)
InChIKeyOKSOANJJVQIPAF-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.53
Rot. Bonds2

About 2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 70015431) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID70015431
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1c(C(F)(F)F)ccnc1CC#N
InChIInChI=1S/C10H8F3N3O/c1-15-9(17)8-6(10(11,12)13)3-5-16-7(8)2-4-14/h3,5H,2H2,1H3,(H,15,17)
InChIKeyOKSOANJJVQIPAF-UHFFFAOYSA-N
XLogP1.53
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 70015431) is 2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is CNC(=O)c1c(C(F)(F)F)ccnc1CC#N.
What is the InChIKey of 2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OKSOANJJVQIPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-15-9(17)8-6(10(11,12)13)3-5-16-7(8)2-4-14/h3,5H,2H2,1H3,(H,15,17).
What are the key properties of 2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 243.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 70015431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).