6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide

C14H13N5O2 — CID 156635565

IUPAC6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(N2Cc3ccc(N)cc3C2=O)n1
InChIInChI=1S/C14H13N5O2/c15-9-5-4-8-7-19(14(21)10(8)6-9)12-3-1-2-11(17-12)13(20)18-16/h1-6H,7,15-16H2,(H,18,20)
InChIKeyDUIBLMAJRKXKJY-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.43
Rot. Bonds2

About 6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide

6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide (PubChem CID 156635565) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide
PubChem CID156635565
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(N2Cc3ccc(N)cc3C2=O)n1
InChIInChI=1S/C14H13N5O2/c15-9-5-4-8-7-19(14(21)10(8)6-9)12-3-1-2-11(17-12)13(20)18-16/h1-6H,7,15-16H2,(H,18,20)
InChIKeyDUIBLMAJRKXKJY-UHFFFAOYSA-N
XLogP0.43
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide?
The IUPAC name of 6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide (CID 156635565) is 6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for 6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide?
The canonical SMILES for 6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide is NNC(=O)c1cccc(N2Cc3ccc(N)cc3C2=O)n1.
What is the InChIKey of 6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide?
The InChIKey is DUIBLMAJRKXKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-9-5-4-8-7-19(14(21)10(8)6-9)12-3-1-2-11(17-12)13(20)18-16/h1-6H,7,15-16H2,(H,18,20).
What are the key properties of 6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide?
6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide has a molecular weight of 283.29 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-oxo-1H-isoindol-2-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 156635565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).