4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide

C19H22ClN3O5 — CID 34976901

IUPAC4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2cc(Cl)ccn2)cc(OCC)c1OCC
InChIInChI=1S/C19H22ClN3O5/c1-4-26-15-9-12(10-16(27-5-2)17(15)28-6-3)18(24)22-23-19(25)14-11-13(20)7-8-21-14/h7-11H,4-6H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDGWKFRISSJLWGX-UHFFFAOYSA-N
MW407.85 g/mol
LogP3.01
Rot. Bonds8

About 4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide

4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide (PubChem CID 34976901) has the molecular formula C19H22ClN3O5 and a molecular weight of 407.85 g/mol. Its IUPAC name is 4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide
PubChem CID34976901
Molecular FormulaC19H22ClN3O5
Molecular Weight407.85 g/mol
Exact Mass407.12
IUPAC Name4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2cc(Cl)ccn2)cc(OCC)c1OCC
InChIInChI=1S/C19H22ClN3O5/c1-4-26-15-9-12(10-16(27-5-2)17(15)28-6-3)18(24)22-23-19(25)14-11-13(20)7-8-21-14/h7-11H,4-6H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDGWKFRISSJLWGX-UHFFFAOYSA-N
XLogP3.01
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 26586710
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide
CID 46569178
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129
4-chloro-N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 9366395
2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
CID 26738509
ethyl 3-(4-chloro-2-pyridinyl)-3-oxopropanoate
CID 53404617
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide
CID 9327506
3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109391
3,4,5-triethoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 649583
3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide
CID 55834203

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide?
The IUPAC name of 4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide (CID 34976901) is 4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide?
The canonical SMILES for 4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide is CCOc1cc(C(=O)NNC(=O)c2cc(Cl)ccn2)cc(OCC)c1OCC.
What is the InChIKey of 4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide?
The InChIKey is DGWKFRISSJLWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5/c1-4-26-15-9-12(10-16(27-5-2)17(15)28-6-3)18(24)22-23-19(25)14-11-13(20)7-8-21-14/h7-11H,4-6H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide?
4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide has a molecular weight of 407.85 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 34976901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).