N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide

C22H23N3O2 — CID 25249782

IUPACN-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2ccc(=O)n(C(C)C(=O)Nc3c(C)cccc3C)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-14-8-10-18(11-9-14)19-12-13-20(26)25(24-19)17(4)22(27)23-21-15(2)6-5-7-16(21)3/h5-13,17H,1-4H3,(H,23,27)
InChIKeyRHAWHJDDRVDWFF-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.04
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide

N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 25249782) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID25249782
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2ccc(=O)n(C(C)C(=O)Nc3c(C)cccc3C)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-14-8-10-18(11-9-14)19-12-13-20(26)25(24-19)17(4)22(27)23-21-15(2)6-5-7-16(21)3/h5-13,17H,1-4H3,(H,23,27)
InChIKeyRHAWHJDDRVDWFF-UHFFFAOYSA-N
XLogP4.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide (CID 25249782) is N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide is Cc1ccc(-c2ccc(=O)n(C(C)C(=O)Nc3c(C)cccc3C)n2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is RHAWHJDDRVDWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-8-10-18(11-9-14)19-12-13-20(26)25(24-19)17(4)22(27)23-21-15(2)6-5-7-16(21)3/h5-13,17H,1-4H3,(H,23,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 361.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 25249782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).