N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide

C24H25ClN4O7 — CID 164673215

About N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide

N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide (PubChem CID 164673215) has the molecular formula C24H25ClN4O7 and a molecular weight of 516.94 g/mol. Its IUPAC name is N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide.

Molecular Properties

• Compound Name: N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide
• PubChem CID: 164673215
• Molecular Formula: C24H25ClN4O7
• Molecular Weight: 516.94 g/mol
• Exact Mass: 516.14
• IUPAC Name: N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide
• SMILES: CCOCc1[nH]c(=O)c(C(=O)NNC(=O)Cc2ccc(Cl)cn2)c(O)c1-c1c(OC)cccc1OC
• InChI: InChI=1S/C24H25ClN4O7/c1-4-36-12-15-19(20-16(34-2)6-5-7-17(20)35-3)22(31)21(23(32)27-15)24(33)29-28-18(30)10-14-9-8-13(25)11-26-14/h5-9,11H,4,10,12H2,1-3H3,(H,28,30)(H,29,33)(H2,27,31,32)
• InChIKey: CNCDWOGOKTXYAL-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 151.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.94
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide?

The IUPAC name of N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide (CID 164673215) is N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide.

What is the SMILES notation for N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide?

The canonical SMILES for N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide is CCOCc1[nH]c(=O)c(C(=O)NNC(=O)Cc2ccc(Cl)cn2)c(O)c1-c1c(OC)cccc1OC.

What is the InChIKey of N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide?

The InChIKey is CNCDWOGOKTXYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O7/c1-4-36-12-15-19(20-16(34-2)6-5-7-17(20)35-3)22(31)21(23(32)27-15)24(33)29-28-18(30)10-14-9-8-13(25)11-26-14/h5-9,11H,4,10,12H2,1-3H3,(H,28,30)(H,29,33)(H2,27,31,32).

What are the key properties of N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide?

N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide has a molecular weight of 516.94 g/mol, XLogP of 2.35, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(5-chloro-2-pyridinyl)acetyl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 164673215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).