4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine

C21H24F2N6 — CID 130450772

IUPAC4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CNCC(F)(F)c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C21H24F2N6/c22-21(23,15-9-5-2-6-10-15)13-27-12-17(14-7-3-1-4-8-14)16-11-18(24)28-20(29-26)19(16)25/h1-11,17,27H,12-13,25-26H2,(H3,24,28,29)
InChIKeyADDMBHGQCVNBAI-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.05
Rot. Bonds8

About 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine

4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 130450772) has the molecular formula C21H24F2N6 and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
PubChem CID130450772
Molecular FormulaC21H24F2N6
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CNCC(F)(F)c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C21H24F2N6/c22-21(23,15-9-5-2-6-10-15)13-27-12-17(14-7-3-1-4-8-14)16-11-18(24)28-20(29-26)19(16)25/h1-11,17,27H,12-13,25-26H2,(H3,24,28,29)
InChIKeyADDMBHGQCVNBAI-UHFFFAOYSA-N
XLogP3.05
TPSA115.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine with MolForge

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Related Compounds

4-Phenyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178312609
3-[(4-Benzylphenyl)diazenyl]pyridine-2,6-diamine
CID 178314709
[6-Phenyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 21818176
N-cyclohexyl-4-phenyl-6-(trifluoromethyl)pyridin-2-amine
CID 138968839
[4-(4-Phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-yl]hydrazine
CID 66788168
N2,N4-Dibenzyl-6-trifluoromethyl-pyridine-2,3,4-triamine
CID 67456850
3-N-[(2,2-difluorocyclopropyl)methyl]-2-N,2-N,3-N-trimethyl-6-(3-piperidin-4-ylphenyl)pyridine-2,3-diamine
CID 68245100
3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine
CID 69081588
2-[5-(3-Fluoro-4-phenylphenyl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine
CID 69970196
2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine
CID 70317626
3-N-benzyl-2-N-[2-(dimethylamino)ethyl]-6-methyl-4-(trifluoromethyl)pyridine-2,3-diamine
CID 70587710
2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide
CID 71161831

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine (CID 130450772) is 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc(C(CNCC(F)(F)c2ccccc2)c2ccccc2)c1N.
What is the InChIKey of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is ADDMBHGQCVNBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6/c22-21(23,15-9-5-2-6-10-15)13-27-12-17(14-7-3-1-4-8-14)16-11-18(24)28-20(29-26)19(16)25/h1-11,17,27H,12-13,25-26H2,(H3,24,28,29).
What are the key properties of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine?
4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 398.46 g/mol, XLogP of 3.05, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 130450772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).