N'-butylpyridine-2-carbohydrazide

C10H15N3O — CID 3063231

IUPACN'-butylpyridine-2-carbohydrazide
SMILESCCCCNNC(=O)c1ccccn1
InChIInChI=1S/C10H15N3O/c1-2-3-8-12-13-10(14)9-6-4-5-7-11-9/h4-7,12H,2-3,8H2,1H3,(H,13,14)
InChIKeyXGHCVJBXTZGIHS-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.12
Rot. Bonds5

About N'-butylpyridine-2-carbohydrazide

N'-butylpyridine-2-carbohydrazide (PubChem CID 3063231) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N'-butylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-butylpyridine-2-carbohydrazide
PubChem CID3063231
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN'-butylpyridine-2-carbohydrazide
SMILESCCCCNNC(=O)c1ccccn1
InChIInChI=1S/C10H15N3O/c1-2-3-8-12-13-10(14)9-6-4-5-7-11-9/h4-7,12H,2-3,8H2,1H3,(H,13,14)
InChIKeyXGHCVJBXTZGIHS-UHFFFAOYSA-N
XLogP1.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N'-butylpyridine-2-carbohydrazide?
The IUPAC name of N'-butylpyridine-2-carbohydrazide (CID 3063231) is N'-butylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-butylpyridine-2-carbohydrazide?
The canonical SMILES for N'-butylpyridine-2-carbohydrazide is CCCCNNC(=O)c1ccccn1.
What is the InChIKey of N'-butylpyridine-2-carbohydrazide?
The InChIKey is XGHCVJBXTZGIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-3-8-12-13-10(14)9-6-4-5-7-11-9/h4-7,12H,2-3,8H2,1H3,(H,13,14).
What are the key properties of N'-butylpyridine-2-carbohydrazide?
N'-butylpyridine-2-carbohydrazide has a molecular weight of 193.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butylpyridine-2-carbohydrazide is sourced from PubChem (CID 3063231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).