N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide

C15H15N5O3 — CID 538927

IUPACN-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(/N=N/c2ccc(O)cc2)cc(NC(C)=O)n1
InChIInChI=1S/C15H15N5O3/c1-9(21)16-14-7-12(8-15(18-14)17-10(2)22)20-19-11-3-5-13(23)6-4-11/h3-8,23H,1-2H3,(H2,16,17,18,21,22)/b20-19+
InChIKeyXGNTYXYBFWHMCX-FMQUCBEESA-N
MW313.32 g/mol
LogP3.12
Rot. Bonds4

About N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide

N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide (PubChem CID 538927) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide
PubChem CID538927
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(/N=N/c2ccc(O)cc2)cc(NC(C)=O)n1
InChIInChI=1S/C15H15N5O3/c1-9(21)16-14-7-12(8-15(18-14)17-10(2)22)20-19-11-3-5-13(23)6-4-11/h3-8,23H,1-2H3,(H2,16,17,18,21,22)/b20-19+
InChIKeyXGNTYXYBFWHMCX-FMQUCBEESA-N
XLogP3.12
TPSA116.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide (CID 538927) is N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(/N=N/c2ccc(O)cc2)cc(NC(C)=O)n1.
What is the InChIKey of N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide?
The InChIKey is XGNTYXYBFWHMCX-FMQUCBEESA-N. The full InChI is InChI=1S/C15H15N5O3/c1-9(21)16-14-7-12(8-15(18-14)17-10(2)22)20-19-11-3-5-13(23)6-4-11/h3-8,23H,1-2H3,(H2,16,17,18,21,22)/b20-19+.
What are the key properties of N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide?
N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide has a molecular weight of 313.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-acetamido-4-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 538927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).