2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide

C14H13N5O2 — CID 54010485

IUPAC2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide
SMILESNC(=O)C/N=N/Nc1ccccc1C(=O)c1ccccn1
InChIInChI=1S/C14H13N5O2/c15-13(20)9-17-19-18-11-6-2-1-5-10(11)14(21)12-7-3-4-8-16-12/h1-8H,9H2,(H2,15,20)(H,17,18)
InChIKeyKRZNLRXULHPPPR-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.58
Rot. Bonds6

About 2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide

2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide (PubChem CID 54010485) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide
PubChem CID54010485
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide
SMILESNC(=O)C/N=N/Nc1ccccc1C(=O)c1ccccn1
InChIInChI=1S/C14H13N5O2/c15-13(20)9-17-19-18-11-6-2-1-5-10(11)14(21)12-7-3-4-8-16-12/h1-8H,9H2,(H2,15,20)(H,17,18)
InChIKeyKRZNLRXULHPPPR-UHFFFAOYSA-N
XLogP1.58
TPSA109.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide?
The IUPAC name of 2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide (CID 54010485) is 2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide.
What is the SMILES notation for 2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide?
The canonical SMILES for 2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide is NC(=O)C/N=N/Nc1ccccc1C(=O)c1ccccn1.
What is the InChIKey of 2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide?
The InChIKey is KRZNLRXULHPPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-13(20)9-17-19-18-11-6-2-1-5-10(11)14(21)12-7-3-4-8-16-12/h1-8H,9H2,(H2,15,20)(H,17,18).
What are the key properties of 2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide?
2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide has a molecular weight of 283.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyridine-2-carbonyl)anilino]diazenyl]acetamide is sourced from PubChem (CID 54010485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).