benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine

C25H34N6O — CID 145371680

IUPACbenzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCNC2CCCOC2)c2ccccc2)c1N.c1ccccc1
InChIInChI=1S/C19H28N6O.C6H6/c20-17-11-16(18(21)19(24-17)25-22)15(13-5-2-1-3-6-13)8-9-23-14-7-4-10-26-12-14;1-2-4-6-5-3-1/h1-3,5-6,11,14-15,23H,4,7-10,12,21-22H2,(H3,20,24,25);1-6H
InChIKeyPEATWHMIURVKCB-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.51
Rot. Bonds7

About benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine

benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine (PubChem CID 145371680) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine.

Molecular Properties

Compound Namebenzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine
PubChem CID145371680
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Namebenzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCNC2CCCOC2)c2ccccc2)c1N.c1ccccc1
InChIInChI=1S/C19H28N6O.C6H6/c20-17-11-16(18(21)19(24-17)25-22)15(13-5-2-1-3-6-13)8-9-23-14-7-4-10-26-12-14;1-2-4-6-5-3-1/h1-3,5-6,11,14-15,23H,4,7-10,12,21-22H2,(H3,20,24,25);1-6H
InChIKeyPEATWHMIURVKCB-UHFFFAOYSA-N
XLogP3.51
TPSA124.24 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.51
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-[6-(3,5-difluorophenyl)-2-(oxan-4-ylmethylamino)-3-pyridinyl]nitrous amide
CID 88270059
4-[2-[(2,2-Difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450772
1-[4-(3,6-Diamino-2-hydrazinyl-4-pyridinyl)-4-phenylbutyl]-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol
CID 145371714
4-[3-[[2-(4-Fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
CID 145371829
6-Hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine
CID 145371873
4-[3-[[4-(4-Fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
CID 145371933
4-[3-(Cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine
CID 145371924
N-[2-(cyclohexylmethylamino)-6-(3-methylphenyl)-3-pyridinyl]-2-methoxy-N'-(oxan-4-ylmethyl)ethanimidamide
CID 70317287
1,7-dibenzyl-2-(ethoxymethyl)-6-methyl-1-N-propan-2-ylimidazo[4,5-c]pyridin-1-ium-1,4-diamine
CID 87647737
4-[2-(Benzylamino)-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450710
7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 130451181
6-hydrazinyl-4-N-(2-methoxyethyl)-2-N,5-diphenylpyrimidine-2,4-diamine
CID 140022584

Frequently Asked Questions

What is the IUPAC name of benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine?
The IUPAC name of benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine (CID 145371680) is benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine.
What is the SMILES notation for benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine?
The canonical SMILES for benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine is NNc1nc(N)cc(C(CCNC2CCCOC2)c2ccccc2)c1N.c1ccccc1.
What is the InChIKey of benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine?
The InChIKey is PEATWHMIURVKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O.C6H6/c20-17-11-16(18(21)19(24-17)25-22)15(13-5-2-1-3-6-13)8-9-23-14-7-4-10-26-12-14;1-2-4-6-5-3-1/h1-3,5-6,11,14-15,23H,4,7-10,12,21-22H2,(H3,20,24,25);1-6H.
What are the key properties of benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine?
benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine has a molecular weight of 434.59 g/mol, XLogP of 3.51, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine is sourced from PubChem (CID 145371680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).