4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine

C20H29FN6 — CID 145371924

IUPAC4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCNC2CCCCC2)c2cccc(F)c2)c1N
InChIInChI=1S/C20H29FN6/c21-14-6-4-5-13(11-14)16(9-10-25-15-7-2-1-3-8-15)17-12-18(22)26-20(27-24)19(17)23/h4-6,11-12,15-16,25H,1-3,7-10,23-24H2,(H3,22,26,27)
InChIKeyRIQZLKGKHUIDNJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.12
Rot. Bonds7

About 4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine

4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 145371924) has the molecular formula C20H29FN6 and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine
PubChem CID145371924
Molecular FormulaC20H29FN6
Molecular Weight372.49 g/mol
Exact Mass372.24
IUPAC Name4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCNC2CCCCC2)c2cccc(F)c2)c1N
InChIInChI=1S/C20H29FN6/c21-14-6-4-5-13(11-14)16(9-10-25-15-7-2-1-3-8-15)17-12-18(22)26-20(27-24)19(17)23/h4-6,11-12,15-16,25H,1-3,7-10,23-24H2,(H3,22,26,27)
InChIKeyRIQZLKGKHUIDNJ-UHFFFAOYSA-N
XLogP3.12
TPSA115.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.12
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-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine 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

N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 24764596
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 24798098
N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 45259040
N-{(3s,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 45259041
N1-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-Fluorophenyl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91819608
N'-[4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 44592966
6-(2-{5-Fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine
CID 134686798
trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-(4-fluorobenzyl)ethane-1,2-diamine
CID 49837187
trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-(4-fluorophenethyl)ethane-1,2-diamine
CID 49837390
N'-[(3S,4S)-4-[(2-amino-6-methyl-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine;hydrochloride
CID 44570691
N'-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;hydrochloride
CID 44570845
N'-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-[2-(4-fluorophenyl)ethyl]ethane-1,2-diamine;hydrochloride
CID 44570883

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine (CID 145371924) is 4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc(C(CCNC2CCCCC2)c2cccc(F)c2)c1N.
What is the InChIKey of 4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is RIQZLKGKHUIDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN6/c21-14-6-4-5-13(11-14)16(9-10-25-15-7-2-1-3-8-15)17-12-18(22)26-20(27-24)19(17)23/h4-6,11-12,15-16,25H,1-3,7-10,23-24H2,(H3,22,26,27).
What are the key properties of 4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine?
4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 372.49 g/mol, XLogP of 3.12, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 145371924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).