2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide

C14H23N3O2 — CID 82524202

IUPAC2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide
SMILESCCCCCn1c(C(C)C)ccc(C(=O)NN)c1=O
InChIInChI=1S/C14H23N3O2/c1-4-5-6-9-17-12(10(2)3)8-7-11(14(17)19)13(18)16-15/h7-8,10H,4-6,9,15H2,1-3H3,(H,16,18)
InChIKeyNVGTVXFPSYXXMH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.77
Rot. Bonds6

About 2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide

2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide (PubChem CID 82524202) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide
PubChem CID82524202
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide
SMILESCCCCCn1c(C(C)C)ccc(C(=O)NN)c1=O
InChIInChI=1S/C14H23N3O2/c1-4-5-6-9-17-12(10(2)3)8-7-11(14(17)19)13(18)16-15/h7-8,10H,4-6,9,15H2,1-3H3,(H,16,18)
InChIKeyNVGTVXFPSYXXMH-UHFFFAOYSA-N
XLogP1.77
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide?
The IUPAC name of 2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide (CID 82524202) is 2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide.
What is the SMILES notation for 2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide?
The canonical SMILES for 2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide is CCCCCn1c(C(C)C)ccc(C(=O)NN)c1=O.
What is the InChIKey of 2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide?
The InChIKey is NVGTVXFPSYXXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-5-6-9-17-12(10(2)3)8-7-11(14(17)19)13(18)16-15/h7-8,10H,4-6,9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide?
2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide has a molecular weight of 265.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide is sourced from PubChem (CID 82524202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).