5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide

C14H10F3N3O2 — CID 169100410

IUPAC5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCc2c(F)cc(F)cc2F)cn1
InChIInChI=1S/C14H10F3N3O2/c15-8-3-10(16)9(11(17)4-8)6-20-14(22)7-1-2-12(13(18)21)19-5-7/h1-5H,6H2,(H2,18,21)(H,20,22)
InChIKeyDXFOVRCRERDGCP-UHFFFAOYSA-N
MW309.25 g/mol
LogP1.53
Rot. Bonds4

About 5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide

5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide (PubChem CID 169100410) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide
PubChem CID169100410
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC Name5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCc2c(F)cc(F)cc2F)cn1
InChIInChI=1S/C14H10F3N3O2/c15-8-3-10(16)9(11(17)4-8)6-20-14(22)7-1-2-12(13(18)21)19-5-7/h1-5H,6H2,(H2,18,21)(H,20,22)
InChIKeyDXFOVRCRERDGCP-UHFFFAOYSA-N
XLogP1.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-propylpyridine-2,5-dicarboxamide
CID 47460537
5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide
CID 86859541
5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide
CID 47460385
5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
CID 44540008
N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110482303
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
5-carbamothioyl-N-[(3,4-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63749197
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 170071729
5-N-(3,4-dichlorophenyl)pyridine-2,5-dicarboxamide
CID 47460215
N-[(2,4,6-trifluorophenyl)methyl]acetamide
CID 110477322
1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide
CID 142502484

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide (CID 169100410) is 5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide is NC(=O)c1ccc(C(=O)NCc2c(F)cc(F)cc2F)cn1.
What is the InChIKey of 5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide?
The InChIKey is DXFOVRCRERDGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c15-8-3-10(16)9(11(17)4-8)6-20-14(22)7-1-2-12(13(18)21)19-5-7/h1-5H,6H2,(H2,18,21)(H,20,22).
What are the key properties of 5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide?
5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide has a molecular weight of 309.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 169100410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).