1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide

C17H19N3O3 — CID 27370702

IUPAC1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O3/c1-12(2)16(22)18-19-17(23)14-8-9-15(21)20(11-14)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyJNBWDCSJXNLJRN-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.31
Rot. Bonds4

About 1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide

1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide (PubChem CID 27370702) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide
PubChem CID27370702
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O3/c1-12(2)16(22)18-19-17(23)14-8-9-15(21)20(11-14)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyJNBWDCSJXNLJRN-UHFFFAOYSA-N
XLogP1.31
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
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 1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide (CID 27370702) is 1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide is CC(C)C(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide?
The InChIKey is JNBWDCSJXNLJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(2)16(22)18-19-17(23)14-8-9-15(21)20(11-14)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide?
1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide has a molecular weight of 313.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(2-methylpropanoyl)-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 27370702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).