6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine

C27H33F3N6 — CID 145371873

IUPAC6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCNC2(C(F)(F)F)CCC(c3ccccc3)CC2)c2ccccc2)c1N
InChIInChI=1S/C27H33F3N6/c28-27(29,30)26(14-11-19(12-15-26)18-7-3-1-4-8-18)34-16-13-21(20-9-5-2-6-10-20)22-17-23(31)35-25(36-33)24(22)32/h1-10,17,19,21,34H,11-16,32-33H2,(H3,31,35,36)
InChIKeyJAUUFFWEXPVOOB-UHFFFAOYSA-N
MW498.60 g/mol
LogP5.30
Rot. Bonds8

About 6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine

6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine (PubChem CID 145371873) has the molecular formula C27H33F3N6 and a molecular weight of 498.60 g/mol. Its IUPAC name is 6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine
PubChem CID145371873
Molecular FormulaC27H33F3N6
Molecular Weight498.60 g/mol
Exact Mass498.27
IUPAC Name6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCNC2(C(F)(F)F)CCC(c3ccccc3)CC2)c2ccccc2)c1N
InChIInChI=1S/C27H33F3N6/c28-27(29,30)26(14-11-19(12-15-26)18-7-3-1-4-8-18)34-16-13-21(20-9-5-2-6-10-20)22-17-23(31)35-25(36-33)24(22)32/h1-10,17,19,21,34H,11-16,32-33H2,(H3,31,35,36)
InChIKeyJAUUFFWEXPVOOB-UHFFFAOYSA-N
XLogP5.30
TPSA115.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 55.30
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 6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine with MolForge

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Related Compounds

7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678950
4-[2-(2-Fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine
CID 126679898
4-[2-[2-[(2,2-Difluoro-2-phenylethyl)amino]phenyl]ethyl]pyridine-2,6-diamine
CID 130431735
4-[2-[(2,2-Difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine
CID 130431737
7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 130450741
4-[2-(2-Fluorophenyl)-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450742
4-[1-(2-Fluorophenyl)-2-phenylethyl]pyridine-2,3,6-triamine
CID 130450743
4-[2-[(2,2-Difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450772
4-[(3-Fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 130451115
6-hydrazinyl-2-N-phenyl-4-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-diamine
CID 140022481
4-[(2-Fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 145270318
6-Hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
CID 145270326

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine?
The IUPAC name of 6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine (CID 145371873) is 6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine?
The canonical SMILES for 6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine is NNc1nc(N)cc(C(CCNC2(C(F)(F)F)CCC(c3ccccc3)CC2)c2ccccc2)c1N.
What is the InChIKey of 6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine?
The InChIKey is JAUUFFWEXPVOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N6/c28-27(29,30)26(14-11-19(12-15-26)18-7-3-1-4-8-18)34-16-13-21(20-9-5-2-6-10-20)22-17-23(31)35-25(36-33)24(22)32/h1-10,17,19,21,34H,11-16,32-33H2,(H3,31,35,36).
What are the key properties of 6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine?
6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine has a molecular weight of 498.60 g/mol, XLogP of 5.30, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine is sourced from PubChem (CID 145371873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).