2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide

C8H11Cl2N5O — CID 102761628

IUPAC2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C8H11Cl2N5O/c1-15(3-6(11)16)8-5(10)2-4(9)7(13-8)14-12/h2H,3,12H2,1H3,(H2,11,16)(H,13,14)
InChIKeyDGAUSCMLWOYUEJ-UHFFFAOYSA-N
MW264.12 g/mol
LogP0.60
Rot. Bonds4

About 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide

2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide (PubChem CID 102761628) has the molecular formula C8H11Cl2N5O and a molecular weight of 264.12 g/mol. Its IUPAC name is 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide
PubChem CID102761628
Molecular FormulaC8H11Cl2N5O
Molecular Weight264.12 g/mol
Exact Mass263.03
IUPAC Name2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C8H11Cl2N5O/c1-15(3-6(11)16)8-5(10)2-4(9)7(13-8)14-12/h2H,3,12H2,1H3,(H2,11,16)(H,13,14)
InChIKeyDGAUSCMLWOYUEJ-UHFFFAOYSA-N
XLogP0.60
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide?
The IUPAC name of 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide (CID 102761628) is 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide?
The canonical SMILES for 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide is CN(CC(N)=O)c1nc(NN)c(Cl)cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide?
The InChIKey is DGAUSCMLWOYUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N5O/c1-15(3-6(11)16)8-5(10)2-4(9)7(13-8)14-12/h2H,3,12H2,1H3,(H2,11,16)(H,13,14).
What are the key properties of 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide?
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide has a molecular weight of 264.12 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide is sourced from PubChem (CID 102761628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).