N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide

C20H19N3O2 — CID 91061296

IUPACN-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-15-7-9-17(10-8-15)21-19(24)13-14-23-20(25)12-11-18(22-23)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,24)
InChIKeyIIUZQEDMFLRRNI-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.25
Rot. Bonds5

About N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide

N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide (PubChem CID 91061296) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
PubChem CID91061296
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-15-7-9-17(10-8-15)21-19(24)13-14-23-20(25)12-11-18(22-23)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,24)
InChIKeyIIUZQEDMFLRRNI-UHFFFAOYSA-N
XLogP3.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066008
N-(4-methylphenyl)-2-[2-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]hydrazinyl]acetamide
CID 176729756
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
CID 16885773
2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813225
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730
N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884517

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The IUPAC name of N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide (CID 91061296) is N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide is Cc1ccc(NC(=O)CCn2nc(-c3ccccc3)ccc2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The InChIKey is IIUZQEDMFLRRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15-7-9-17(10-8-15)21-19(24)13-14-23-20(25)12-11-18(22-23)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,24).
What are the key properties of N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide is sourced from PubChem (CID 91061296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).