2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide

C15H17N3O3 — CID 82518702

IUPAC2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide
SMILESCC(C)Oc1ccccc1-c1ccc(C(=O)NN)c(=O)[nH]1
InChIInChI=1S/C15H17N3O3/c1-9(2)21-13-6-4-3-5-10(13)12-8-7-11(14(19)17-12)15(20)18-16/h3-9H,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZTBTZMUKYUYABJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.43
Rot. Bonds4

About 2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide

2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide (PubChem CID 82518702) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide
PubChem CID82518702
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide
SMILESCC(C)Oc1ccccc1-c1ccc(C(=O)NN)c(=O)[nH]1
InChIInChI=1S/C15H17N3O3/c1-9(2)21-13-6-4-3-5-10(13)12-8-7-11(14(19)17-12)15(20)18-16/h3-9H,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZTBTZMUKYUYABJ-UHFFFAOYSA-N
XLogP1.43
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide?
The IUPAC name of 2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide (CID 82518702) is 2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for 2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide?
The canonical SMILES for 2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide is CC(C)Oc1ccccc1-c1ccc(C(=O)NN)c(=O)[nH]1.
What is the InChIKey of 2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide?
The InChIKey is ZTBTZMUKYUYABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(2)21-13-6-4-3-5-10(13)12-8-7-11(14(19)17-12)15(20)18-16/h3-9H,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide?
2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide has a molecular weight of 287.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 82518702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).