N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide

C17H19N3O4 — CID 9330731

IUPACN'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2ccccn2)cc1OC
InChIInChI=1S/C17H19N3O4/c1-23-14-8-6-12(11-15(14)24-2)7-9-16(21)19-20-17(22)13-5-3-4-10-18-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPSFPPUKCELWGKG-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.49
Rot. Bonds6

About N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide

N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide (PubChem CID 9330731) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide
PubChem CID9330731
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2ccccn2)cc1OC
InChIInChI=1S/C17H19N3O4/c1-23-14-8-6-12(11-15(14)24-2)7-9-16(21)19-20-17(22)13-5-3-4-10-18-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPSFPPUKCELWGKG-UHFFFAOYSA-N
XLogP1.49
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide (CID 9330731) is N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide is COc1ccc(CCC(=O)NNC(=O)c2ccccn2)cc1OC.
What is the InChIKey of N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide?
The InChIKey is PSFPPUKCELWGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-14-8-6-12(11-15(14)24-2)7-9-16(21)19-20-17(22)13-5-3-4-10-18-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide?
N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide has a molecular weight of 329.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,4-dimethoxyphenyl)propanoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 9330731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).