N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C22H23N3O2 — CID 5099137

IUPACN-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCc1ccc(CNC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1
InChIInChI=1S/C22H23N3O2/c1-3-17-6-8-18(9-7-17)14-23-21(26)15-25-22(27)13-12-20(24-25)19-10-4-16(2)5-11-19/h4-13H,3,14-15H2,1-2H3,(H,23,26)
InChIKeyCXPMNRSESGNMAX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.10
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 5099137) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID5099137
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCc1ccc(CNC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1
InChIInChI=1S/C22H23N3O2/c1-3-17-6-8-18(9-7-17)14-23-21(26)15-25-22(27)13-12-20(24-25)19-10-4-16(2)5-11-19/h4-13H,3,14-15H2,1-2H3,(H,23,26)
InChIKeyCXPMNRSESGNMAX-UHFFFAOYSA-N
XLogP3.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 5099137) is N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is CCc1ccc(CNC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is CXPMNRSESGNMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-17-6-8-18(9-7-17)14-23-21(26)15-25-22(27)13-12-20(24-25)19-10-4-16(2)5-11-19/h4-13H,3,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 5099137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).