2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide

C18H18N4O2 — CID 4217896

IUPAC2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1NC(c2ccccc2)=CCC1=O)NCc1cccnc1
InChIInChI=1S/C18H18N4O2/c23-17(20-12-14-5-4-10-19-11-14)13-22-18(24)9-8-16(21-22)15-6-2-1-3-7-15/h1-8,10-11,21H,9,12-13H2,(H,20,23)
InChIKeyWPDJZOIEWYEAEO-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.48
Rot. Bonds5

About 2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 4217896) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID4217896
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1NC(c2ccccc2)=CCC1=O)NCc1cccnc1
InChIInChI=1S/C18H18N4O2/c23-17(20-12-14-5-4-10-19-11-14)13-22-18(24)9-8-16(21-22)15-6-2-1-3-7-15/h1-8,10-11,21H,9,12-13H2,(H,20,23)
InChIKeyWPDJZOIEWYEAEO-UHFFFAOYSA-N
XLogP1.48
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3495514
3-(5-oxo-3-phenyl-4H-1,2,4-triazin-6-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 135868790
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 3636855
N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide
CID 121116890
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 50848268
3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide
CID 166204346
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 12005350
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 70734680
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 4217896) is 2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(CN1NC(c2ccccc2)=CCC1=O)NCc1cccnc1.
What is the InChIKey of 2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is WPDJZOIEWYEAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17(20-12-14-5-4-10-19-11-14)13-22-18(24)9-8-16(21-22)15-6-2-1-3-7-15/h1-8,10-11,21H,9,12-13H2,(H,20,23).
What are the key properties of 2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 322.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 4217896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).