benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate

C16H20N4O4 — CID 171855731

IUPACbenzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESNNc1ccc(C(O)C(O)CNC(=O)OCc2ccccc2)cn1
InChIInChI=1S/C16H20N4O4/c17-20-14-7-6-12(8-18-14)15(22)13(21)9-19-16(23)24-10-11-4-2-1-3-5-11/h1-8,13,15,21-22H,9-10,17H2,(H,18,20)(H,19,23)
InChIKeyCSMZEJJBQRAWES-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.69
Rot. Bonds7

About benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171855731) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171855731
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Namebenzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESNNc1ccc(C(O)C(O)CNC(=O)OCc2ccccc2)cn1
InChIInChI=1S/C16H20N4O4/c17-20-14-7-6-12(8-18-14)15(22)13(21)9-19-16(23)24-10-11-4-2-1-3-5-11/h1-8,13,15,21-22H,9-10,17H2,(H,18,20)(H,19,23)
InChIKeyCSMZEJJBQRAWES-UHFFFAOYSA-N
XLogP0.69
TPSA129.73 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.69
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

benzyl N-[3-(4-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855602
benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate
CID 171856136
benzyl N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856317
benzyl N-(2,3-dihydroxy-3-quinolin-7-ylpropyl)carbamate
CID 171856144
benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856238
benzyl N-[2,3-dihydroxy-3-[4-(methylamino)phenyl]propyl]carbamate
CID 171855663
benzyl N-[3-(4-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855537
benzyl N-[2,3-dihydroxy-3-(4-pyrazol-1-ylphenyl)propyl]carbamate
CID 171856680
5-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]pyridine-2-carboxylic acid
CID 171888514
benzyl N-[2,3-dihydroxy-3-(2-imidazol-1-ylpyrimidin-5-yl)propyl]carbamate
CID 171856672
benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate
CID 171855323
benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
CID 171856933

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate (CID 171855731) is benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate is NNc1ccc(C(O)C(O)CNC(=O)OCc2ccccc2)cn1.
What is the InChIKey of benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is CSMZEJJBQRAWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c17-20-14-7-6-12(8-18-14)15(22)13(21)9-19-16(23)24-10-11-4-2-1-3-5-11/h1-8,13,15,21-22H,9-10,17H2,(H,18,20)(H,19,23).
What are the key properties of benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 332.36 g/mol, XLogP of 0.69, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171855731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).