5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one

C22H25N5O — CID 145371852

IUPAC5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one
SMILESNNc1nc(N)cc(C(CCC(=O)Cc2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C22H25N5O/c23-20-14-19(21(24)22(26-20)27-25)18(16-9-5-2-6-10-16)12-11-17(28)13-15-7-3-1-4-8-15/h1-10,14,18H,11-13,24-25H2,(H3,23,26,27)
InChIKeyWZBURGBHLWJASL-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.26
Rot. Bonds8

About 5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one

5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one (PubChem CID 145371852) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one.

Molecular Properties

Compound Name5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one
PubChem CID145371852
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one
SMILESNNc1nc(N)cc(C(CCC(=O)Cc2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C22H25N5O/c23-20-14-19(21(24)22(26-20)27-25)18(16-9-5-2-6-10-16)12-11-17(28)13-15-7-3-1-4-8-15/h1-10,14,18H,11-13,24-25H2,(H3,23,26,27)
InChIKeyWZBURGBHLWJASL-UHFFFAOYSA-N
XLogP3.26
TPSA120.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.26
H-Bond Donors ≤ 54
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

2,2-diphenyl-N'-pyridin-2-ylacetohydrazide
CID 803777
6-Hydrazinyl-3-phenyl-1,5-naphthyridin-2(1H)-one
CID 67069008
6-amino-4-ethyl-2-(2-fluorophenyl)-8-methyl-4H-1,5-naphthyridin-3-one
CID 68169534
1-[4-(5,6-Diamino-2-pyridinyl)piperazin-1-yl]-4-(4-fluorophenyl)hex-5-en-3-one
CID 70444450
3-[[6-(2-Fluorophenyl)-2-pyridinyl]hydrazinylidene]cyclohexan-1-one
CID 88131331
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-[2-[(2,2-Difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450772
4-[[3-(3-Fluorophenyl)phenyl]methyl]-6-hydrazinylpyridine-2,5-diamine
CID 145270362
4-[3-[[2-(4-Fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
CID 145371829
4-[3-(Cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine
CID 145371924
3-Phenyldiazenylpyridine-2,6-diamine;2-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 117596926

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one?
The IUPAC name of 5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one (CID 145371852) is 5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one.
What is the SMILES notation for 5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one?
The canonical SMILES for 5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one is NNc1nc(N)cc(C(CCC(=O)Cc2ccccc2)c2ccccc2)c1N.
What is the InChIKey of 5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one?
The InChIKey is WZBURGBHLWJASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c23-20-14-19(21(24)22(26-20)27-25)18(16-9-5-2-6-10-16)12-11-17(28)13-15-7-3-1-4-8-15/h1-10,14,18H,11-13,24-25H2,(H3,23,26,27).
What are the key properties of 5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one?
5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one has a molecular weight of 375.48 g/mol, XLogP of 3.26, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-1,5-diphenylpentan-2-one is sourced from PubChem (CID 145371852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).