methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate

C15H15N5O4 — CID 164908589

IUPACmethyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1nc(NC(C)=O)ccc1/N=N/c1ccccc1O
InChIInChI=1S/C15H15N5O4/c1-9(21)16-13-8-7-11(14(17-13)18-15(23)24-2)20-19-10-5-3-4-6-12(10)22/h3-8,22H,1-2H3,(H2,16,17,18,21,23)/b20-19+
InChIKeyROXWGMVPKYDIII-FMQUCBEESA-N
MW329.32 g/mol
LogP3.34
Rot. Bonds4

About methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate

methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate (PubChem CID 164908589) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate
PubChem CID164908589
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Namemethyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1nc(NC(C)=O)ccc1/N=N/c1ccccc1O
InChIInChI=1S/C15H15N5O4/c1-9(21)16-13-8-7-11(14(17-13)18-15(23)24-2)20-19-10-5-3-4-6-12(10)22/h3-8,22H,1-2H3,(H2,16,17,18,21,23)/b20-19+
InChIKeyROXWGMVPKYDIII-FMQUCBEESA-N
XLogP3.34
TPSA125.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate (CID 164908589) is methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate is COC(=O)Nc1nc(NC(C)=O)ccc1/N=N/c1ccccc1O.
What is the InChIKey of methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate?
The InChIKey is ROXWGMVPKYDIII-FMQUCBEESA-N. The full InChI is InChI=1S/C15H15N5O4/c1-9(21)16-13-8-7-11(14(17-13)18-15(23)24-2)20-19-10-5-3-4-6-12(10)22/h3-8,22H,1-2H3,(H2,16,17,18,21,23)/b20-19+.
What are the key properties of methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate?
methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate has a molecular weight of 329.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-acetamido-3-[(2-hydroxyphenyl)diazenyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 164908589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).