4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine

C26H33FN6 — CID 145371933

IUPAC4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCNC2CCC(c3ccc(F)cc3)CC2)c2ccccc2)c1N
InChIInChI=1S/C26H33FN6/c27-20-10-6-17(7-11-20)18-8-12-21(13-9-18)31-15-14-22(19-4-2-1-3-5-19)23-16-24(28)32-26(33-30)25(23)29/h1-7,10-11,16,18,21-22,31H,8-9,12-15,29-30H2,(H3,28,32,33)
InChIKeyKSHWSVSWOUSLNB-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.51
Rot. Bonds8

About 4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine

4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 145371933) has the molecular formula C26H33FN6 and a molecular weight of 448.59 g/mol. Its IUPAC name is 4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
PubChem CID145371933
Molecular FormulaC26H33FN6
Molecular Weight448.59 g/mol
Exact Mass448.28
IUPAC Name4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCNC2CCC(c3ccc(F)cc3)CC2)c2ccccc2)c1N
InChIInChI=1S/C26H33FN6/c27-20-10-6-17(7-11-20)18-8-12-21(13-9-18)31-15-14-22(19-4-2-1-3-5-19)23-16-24(28)32-26(33-30)25(23)29/h1-7,10-11,16,18,21-22,31H,8-9,12-15,29-30H2,(H3,28,32,33)
InChIKeyKSHWSVSWOUSLNB-UHFFFAOYSA-N
XLogP4.51
TPSA115.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.51
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'}

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Related Compounds

3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine
CID 69081588
7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678950
7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126679213
7-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126679216
4-[2-(2-Fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine
CID 126679898
4-[2-[3-(3-Fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine
CID 126680558
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
4-N-[2-(3-fluorophenyl)ethyl]-6-hydrazinyl-2-N-phenylpyrimidine-2,4-diamine
CID 140022446

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine (CID 145371933) is 4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc(C(CCNC2CCC(c3ccc(F)cc3)CC2)c2ccccc2)c1N.
What is the InChIKey of 4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is KSHWSVSWOUSLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6/c27-20-10-6-17(7-11-20)18-8-12-21(13-9-18)31-15-14-22(19-4-2-1-3-5-19)23-16-24(28)32-26(33-30)25(23)29/h1-7,10-11,16,18,21-22,31H,8-9,12-15,29-30H2,(H3,28,32,33).
What are the key properties of 4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 448.59 g/mol, XLogP of 4.51, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(4-fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 145371933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).