2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

C19H17N3O2 — CID 47086774

IUPAC2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cc1
InChIInChI=1S/C19H17N3O2/c1-13-5-7-14(8-6-13)11-19(24)20-16-4-2-3-15(12-16)17-9-10-18(23)22-21-17/h2-10,12H,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyVRAFYMPFNKZOJY-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 47086774) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID47086774
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cc1
InChIInChI=1S/C19H17N3O2/c1-13-5-7-14(8-6-13)11-19(24)20-16-4-2-3-15(12-16)17-9-10-18(23)22-21-17/h2-10,12H,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyVRAFYMPFNKZOJY-UHFFFAOYSA-N
XLogP2.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 49035248
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108811605
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
2-cyclopentyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 51100304
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108769888
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 49035377
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 49033929
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide
CID 43991392
4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
CID 49035162
4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 108747821
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 167902323
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (CID 47086774) is 2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is Cc1ccc(CC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is VRAFYMPFNKZOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-5-7-14(8-6-13)11-19(24)20-16-4-2-3-15(12-16)17-9-10-18(23)22-21-17/h2-10,12H,11H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 47086774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).