2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide

C17H29N3O2 — CID 42631177

IUPAC2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide
SMILESCCCCC(CCCC)NNC(=O)c1cccnc1OCC
InChIInChI=1S/C17H29N3O2/c1-4-7-10-14(11-8-5-2)19-20-16(21)15-12-9-13-18-17(15)22-6-3/h9,12-14,19H,4-8,10-11H2,1-3H3,(H,20,21)
InChIKeyLYQHUJXIJVKMSH-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.46
Rot. Bonds11

About 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide

2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide (PubChem CID 42631177) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide
PubChem CID42631177
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide
SMILESCCCCC(CCCC)NNC(=O)c1cccnc1OCC
InChIInChI=1S/C17H29N3O2/c1-4-7-10-14(11-8-5-2)19-20-16(21)15-12-9-13-18-17(15)22-6-3/h9,12-14,19H,4-8,10-11H2,1-3H3,(H,20,21)
InChIKeyLYQHUJXIJVKMSH-UHFFFAOYSA-N
XLogP3.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.46
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 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide?
The IUPAC name of 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide (CID 42631177) is 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide.
What is the SMILES notation for 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide?
The canonical SMILES for 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide is CCCCC(CCCC)NNC(=O)c1cccnc1OCC.
What is the InChIKey of 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide?
The InChIKey is LYQHUJXIJVKMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-7-10-14(11-8-5-2)19-20-16(21)15-12-9-13-18-17(15)22-6-3/h9,12-14,19H,4-8,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide?
2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide has a molecular weight of 307.44 g/mol, XLogP of 3.46, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide is sourced from PubChem (CID 42631177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).