4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide

C21H25ClN4O4 — CID 24540209

IUPAC4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C21H25ClN4O4/c1-2-3-4-5-12-30-17-8-6-15(7-9-17)20(28)26-25-19(27)14-24-21(29)18-13-16(22)10-11-23-18/h6-11,13H,2-5,12,14H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyQVQYWIZCRZVLCM-UHFFFAOYSA-N
MW432.91 g/mol
LogP2.89
Rot. Bonds10

About 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 24540209) has the molecular formula C21H25ClN4O4 and a molecular weight of 432.91 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID24540209
Molecular FormulaC21H25ClN4O4
Molecular Weight432.91 g/mol
Exact Mass432.16
IUPAC Name4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C21H25ClN4O4/c1-2-3-4-5-12-30-17-8-6-15(7-9-17)20(28)26-25-19(27)14-24-21(29)18-13-16(22)10-11-23-18/h6-11,13H,2-5,12,14H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyQVQYWIZCRZVLCM-UHFFFAOYSA-N
XLogP2.89
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

4-chloro-N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 9366395
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide
CID 9327506
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 94496970
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24540215
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide (CID 24540209) is 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide is CCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1.
What is the InChIKey of 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is QVQYWIZCRZVLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O4/c1-2-3-4-5-12-30-17-8-6-15(7-9-17)20(28)26-25-19(27)14-24-21(29)18-13-16(22)10-11-23-18/h6-11,13H,2-5,12,14H2,1H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 2.89, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 24540209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).