N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide

C13H10F3N3O — CID 102416830

IUPACN-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NC(c1ccccn1)c1ccccn1)C(F)(F)F
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)12(20)19-11(9-5-1-3-7-17-9)10-6-2-4-8-18-10/h1-8,11H,(H,19,20)
InChIKeyGFZVAWIYWKQQML-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.24
Rot. Bonds3

About N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide

N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide (PubChem CID 102416830) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide
PubChem CID102416830
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC NameN-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NC(c1ccccn1)c1ccccn1)C(F)(F)F
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)12(20)19-11(9-5-1-3-7-17-9)10-6-2-4-8-18-10/h1-8,11H,(H,19,20)
InChIKeyGFZVAWIYWKQQML-UHFFFAOYSA-N
XLogP2.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(dipyridin-2-ylmethyl)carbamate
CID 162768521
N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282
2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 103733324
3,3,3-trifluoro-2-pyridin-2-ylpropanamide
CID 174447442
4,4,4-trifluoro-3-pyridin-2-ylbutanoic acid
CID 82534716
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea
CID 11225540
2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
CID 164672038
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405569
3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405539
N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide
CID 126799110

Frequently Asked Questions

What is the IUPAC name of N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide (CID 102416830) is N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide is O=C(NC(c1ccccn1)c1ccccn1)C(F)(F)F.
What is the InChIKey of N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide?
The InChIKey is GFZVAWIYWKQQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)12(20)19-11(9-5-1-3-7-17-9)10-6-2-4-8-18-10/h1-8,11H,(H,19,20).
What are the key properties of N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide?
N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide has a molecular weight of 281.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 102416830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).