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

C27H38N6O — CID 145371748

IUPACbenzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine
SMILESCOc1cccc(C(CCNC2CCCCC2)c2cc(N)nc(NN)c2N)c1.c1ccccc1
InChIInChI=1S/C21H32N6O.C6H6/c1-28-16-9-5-6-14(12-16)17(10-11-25-15-7-3-2-4-8-15)18-13-19(22)26-21(27-24)20(18)23;1-2-4-6-5-3-1/h5-6,9,12-13,15,17,25H,2-4,7-8,10-11,23-24H2,1H3,(H3,22,26,27);1-6H
InChIKeyWHJYHWDMLTXPKM-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.67
Rot. Bonds8

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

benzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 145371748) has the molecular formula C27H38N6O and a molecular weight of 462.64 g/mol. Its IUPAC name is benzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Namebenzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine
PubChem CID145371748
Molecular FormulaC27H38N6O
Molecular Weight462.64 g/mol
Exact Mass462.31
IUPAC Namebenzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine
SMILESCOc1cccc(C(CCNC2CCCCC2)c2cc(N)nc(NN)c2N)c1.c1ccccc1
InChIInChI=1S/C21H32N6O.C6H6/c1-28-16-9-5-6-14(12-16)17(10-11-25-15-7-3-2-4-8-15)18-13-19(22)26-21(27-24)20(18)23;1-2-4-6-5-3-1/h5-6,9,12-13,15,17,25H,2-4,7-8,10-11,23-24H2,1H3,(H3,22,26,27);1-6H
InChIKeyWHJYHWDMLTXPKM-UHFFFAOYSA-N
XLogP4.67
TPSA124.24 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

N-cyclohexyl-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 172455943
4-[[3-(3-Fluoro-4-methoxyphenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126679918
4-[[3-(2-Fluoro-4-methoxyphenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126679947
4-[[3-(3-Fluoro-2-methoxyphenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126679955
6-Hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine
CID 145270347
4-[3-(Cyclohexylamino)-1-[3-(difluoromethoxy)phenyl]propyl]pyridine-2,3,6-triamine
CID 155112992
4-[3-Amino-2-[[2-(difluoromethoxy)-5-pyrrolidin-3-ylphenyl]methyliminomethyl]prop-2-enyl]-6-hydrazinylpyridine-2,5-diamine
CID 173676496
4-[(3S)-1-amino-2-[[3-(difluoromethoxy)phenyl]methyliminomethyl]-5-[(4-phenylcyclohexyl)amino]pent-1-en-3-yl]-3-diazenylpyridine-2,6-diamine
CID 173885647
N~3~-[(3'-methoxy-1,1'-biphenyl-3-yl)methyl]-6-methylpyridine-2,3-diamine
CID 11580559
6-chloro-3-N-[[3-(3-methoxyphenyl)phenyl]methyl]pyridine-2,3-diamine
CID 11617043
6-[4-[2-[4-(2-Amino-2-phenylethyl)piperazin-1-yl]ethyl]-2-methoxyphenyl]pyridin-2-amine
CID 18414550
6-[2-Methoxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 22624301

Frequently Asked Questions

What is the IUPAC name of benzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of benzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine (CID 145371748) is benzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for benzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for benzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine is COc1cccc(C(CCNC2CCCCC2)c2cc(N)nc(NN)c2N)c1.c1ccccc1.
What is the InChIKey of benzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is WHJYHWDMLTXPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O.C6H6/c1-28-16-9-5-6-14(12-16)17(10-11-25-15-7-3-2-4-8-15)18-13-19(22)26-21(27-24)20(18)23;1-2-4-6-5-3-1/h5-6,9,12-13,15,17,25H,2-4,7-8,10-11,23-24H2,1H3,(H3,22,26,27);1-6H.
What are the key properties of benzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine?
benzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 462.64 g/mol, XLogP of 4.67, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 145371748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).