N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide

C21H21N5O3 — CID 176729756

IUPACN-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide
SMILESCc1ccc(NC(=O)CNNC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C21H21N5O3/c1-15-7-9-17(10-8-15)23-19(27)13-22-24-20(28)14-26-21(29)12-11-18(25-26)16-5-3-2-4-6-16/h2-12,22H,13-14H2,1H3,(H,23,27)(H,24,28)
InChIKeyZXBREIWOIAUYDT-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.48
Rot. Bonds7

About N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide

N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide (PubChem CID 176729756) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide
PubChem CID176729756
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide
SMILESCc1ccc(NC(=O)CNNC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C21H21N5O3/c1-15-7-9-17(10-8-15)23-19(27)13-22-24-20(28)14-26-21(29)12-11-18(25-26)16-5-3-2-4-6-16/h2-12,22H,13-14H2,1H3,(H,23,27)(H,24,28)
InChIKeyZXBREIWOIAUYDT-UHFFFAOYSA-N
XLogP1.48
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 91061296
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 170265302
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121050608
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813225

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide (CID 176729756) is N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide is Cc1ccc(NC(=O)CNNC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide?
The InChIKey is ZXBREIWOIAUYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-15-7-9-17(10-8-15)23-19(27)13-22-24-20(28)14-26-21(29)12-11-18(25-26)16-5-3-2-4-6-16/h2-12,22H,13-14H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide?
N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide is sourced from PubChem (CID 176729756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).