N'-propylpyridine-2-carbohydrazide

C9H13N3O — CID 3062786

IUPACN'-propylpyridine-2-carbohydrazide
SMILESCCCNNC(=O)c1ccccn1
InChIInChI=1S/C9H13N3O/c1-2-6-11-12-9(13)8-5-3-4-7-10-8/h3-5,7,11H,2,6H2,1H3,(H,12,13)
InChIKeyALZZMTLNNHOORO-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.73
Rot. Bonds4

About N'-propylpyridine-2-carbohydrazide

N'-propylpyridine-2-carbohydrazide (PubChem CID 3062786) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N'-propylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-propylpyridine-2-carbohydrazide
PubChem CID3062786
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN'-propylpyridine-2-carbohydrazide
SMILESCCCNNC(=O)c1ccccn1
InChIInChI=1S/C9H13N3O/c1-2-6-11-12-9(13)8-5-3-4-7-10-8/h3-5,7,11H,2,6H2,1H3,(H,12,13)
InChIKeyALZZMTLNNHOORO-UHFFFAOYSA-N
XLogP0.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.73
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'-propylpyridine-2-carbohydrazide?
The IUPAC name of N'-propylpyridine-2-carbohydrazide (CID 3062786) is N'-propylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-propylpyridine-2-carbohydrazide?
The canonical SMILES for N'-propylpyridine-2-carbohydrazide is CCCNNC(=O)c1ccccn1.
What is the InChIKey of N'-propylpyridine-2-carbohydrazide?
The InChIKey is ALZZMTLNNHOORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-6-11-12-9(13)8-5-3-4-7-10-8/h3-5,7,11H,2,6H2,1H3,(H,12,13).
What are the key properties of N'-propylpyridine-2-carbohydrazide?
N'-propylpyridine-2-carbohydrazide has a molecular weight of 179.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propylpyridine-2-carbohydrazide is sourced from PubChem (CID 3062786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).