2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide

C16H14F4N4O2 — CID 2164897

IUPAC2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
SMILESO=C(NCc1ccccn1)C(F)(F)C(F)(F)C(=O)NCc1ccccn1
InChIInChI=1S/C16H14F4N4O2/c17-15(18,13(25)23-9-11-5-1-3-7-21-11)16(19,20)14(26)24-10-12-6-2-4-8-22-12/h1-8H,9-10H2,(H,23,25)(H,24,26)
InChIKeyAZMRZRDJGSMTKA-UHFFFAOYSA-N
MW370.31 g/mol
LogP1.68
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide

2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide (PubChem CID 2164897) has the molecular formula C16H14F4N4O2 and a molecular weight of 370.31 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
PubChem CID2164897
Molecular FormulaC16H14F4N4O2
Molecular Weight370.31 g/mol
Exact Mass370.11
IUPAC Name2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
SMILESO=C(NCc1ccccn1)C(F)(F)C(F)(F)C(=O)NCc1ccccn1
InChIInChI=1S/C16H14F4N4O2/c17-15(18,13(25)23-9-11-5-1-3-7-21-11)16(19,20)14(26)24-10-12-6-2-4-8-22-12/h1-8H,9-10H2,(H,23,25)(H,24,26)
InChIKeyAZMRZRDJGSMTKA-UHFFFAOYSA-N
XLogP1.68
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide 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

2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide
CID 3484227
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
4,4,4-trifluoro-3-methyl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 123609120
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 108999285
2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 3676320

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide (CID 2164897) is 2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide is O=C(NCc1ccccn1)C(F)(F)C(F)(F)C(=O)NCc1ccccn1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide?
The InChIKey is AZMRZRDJGSMTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N4O2/c17-15(18,13(25)23-9-11-5-1-3-7-21-11)16(19,20)14(26)24-10-12-6-2-4-8-22-12/h1-8H,9-10H2,(H,23,25)(H,24,26).
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide?
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide has a molecular weight of 370.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide is sourced from PubChem (CID 2164897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).