N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide

C17H19N3O4 — CID 2545068

IUPACN'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C17H19N3O4/c1-11(2)10-24-14-6-3-12(4-7-14)16(22)19-20-17(23)13-5-8-15(21)18-9-13/h3-9,11H,10H2,1-2H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyIKPVBORBACYXCJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.48
Rot. Bonds5

About N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide

N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide (PubChem CID 2545068) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide
PubChem CID2545068
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C17H19N3O4/c1-11(2)10-24-14-6-3-12(4-7-14)16(22)19-20-17(23)13-5-8-15(21)18-9-13/h3-9,11H,10H2,1-2H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyIKPVBORBACYXCJ-UHFFFAOYSA-N
XLogP1.48
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide?
The IUPAC name of N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide (CID 2545068) is N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide?
The canonical SMILES for N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide is CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide?
The InChIKey is IKPVBORBACYXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(2)10-24-14-6-3-12(4-7-14)16(22)19-20-17(23)13-5-8-15(21)18-9-13/h3-9,11H,10H2,1-2H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide?
N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide has a molecular weight of 329.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylpropoxy)benzoyl]-6-oxo-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 2545068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).