2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide

C15H17N3O3 — CID 82518239

IUPAC2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide
SMILESCCCOc1cccc(-c2ccc(C(=O)NN)c(=O)[nH]2)c1
InChIInChI=1S/C15H17N3O3/c1-2-8-21-11-5-3-4-10(9-11)13-7-6-12(14(19)17-13)15(20)18-16/h3-7,9H,2,8,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyKJLUDNRSMJNUJC-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.43
Rot. Bonds5

About 2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide

2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide (PubChem CID 82518239) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide
PubChem CID82518239
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide
SMILESCCCOc1cccc(-c2ccc(C(=O)NN)c(=O)[nH]2)c1
InChIInChI=1S/C15H17N3O3/c1-2-8-21-11-5-3-4-10(9-11)13-7-6-12(14(19)17-13)15(20)18-16/h3-7,9H,2,8,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyKJLUDNRSMJNUJC-UHFFFAOYSA-N
XLogP1.43
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 82518431
3-pentoxybenzohydrazide
CID 54793157
2-oxo-N-(3-propoxyphenyl)-1H-pyridine-3-carboxamide
CID 38824053
N-(4-ethoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497881
3-hexoxybenzohydrazide
CID 54793158
3-heptoxybenzohydrazide
CID 54793165
3-propoxybenzamide
CID 22311435
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417
2-(3-butoxyphenyl)quinoline-4-carbohydrazide
CID 3492380
2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide
CID 54850597
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55759754

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide?
The IUPAC name of 2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide (CID 82518239) is 2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for 2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide?
The canonical SMILES for 2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide is CCCOc1cccc(-c2ccc(C(=O)NN)c(=O)[nH]2)c1.
What is the InChIKey of 2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide?
The InChIKey is KJLUDNRSMJNUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-8-21-11-5-3-4-10(9-11)13-7-6-12(14(19)17-13)15(20)18-16/h3-7,9H,2,8,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide?
2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide has a molecular weight of 287.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 82518239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).