N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide

C17H19N3O3 — CID 4790015

IUPACN'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide
SMILESCc1ccc(OCCCC(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H19N3O3/c1-13-7-9-14(10-8-13)23-12-4-6-16(21)19-20-17(22)15-5-2-3-11-18-15/h2-3,5,7-11H,4,6,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyJXDQYHUVBFLIOE-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.01
Rot. Bonds6

About N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide

N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide (PubChem CID 4790015) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide
PubChem CID4790015
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide
SMILESCc1ccc(OCCCC(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H19N3O3/c1-13-7-9-14(10-8-13)23-12-4-6-16(21)19-20-17(22)15-5-2-3-11-18-15/h2-3,5,7-11H,4,6,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyJXDQYHUVBFLIOE-UHFFFAOYSA-N
XLogP2.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide (CID 4790015) is N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide is Cc1ccc(OCCCC(=O)NNC(=O)c2ccccn2)cc1.
What is the InChIKey of N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide?
The InChIKey is JXDQYHUVBFLIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-13-7-9-14(10-8-13)23-12-4-6-16(21)19-20-17(22)15-5-2-3-11-18-15/h2-3,5,7-11H,4,6,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide?
N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide has a molecular weight of 313.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 4790015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).