N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide

C21H23N3O2 — CID 4144149

IUPACN-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide
SMILESCc1ccc(CNC(=O)CCN2NC(c3ccccc3)=CCC2=O)cc1
InChIInChI=1S/C21H23N3O2/c1-16-7-9-17(10-8-16)15-22-20(25)13-14-24-21(26)12-11-19(23-24)18-5-3-2-4-6-18/h2-11,23H,12-15H2,1H3,(H,22,25)
InChIKeyKOQYQTJHHSEBFD-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.78
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide

N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide (PubChem CID 4144149) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide
PubChem CID4144149
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide
SMILESCc1ccc(CNC(=O)CCN2NC(c3ccccc3)=CCC2=O)cc1
InChIInChI=1S/C21H23N3O2/c1-16-7-9-17(10-8-16)15-22-20(25)13-14-24-21(26)12-11-19(23-24)18-5-3-2-4-6-18/h2-11,23H,12-15H2,1H3,(H,22,25)
InChIKeyKOQYQTJHHSEBFD-UHFFFAOYSA-N
XLogP2.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide
CID 4307363
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide
CID 4301640
N-(furan-2-ylmethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 3424095
3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide
CID 4281759
N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 3636855
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 4206556
N-[(4-methylphenyl)methyl]butanamide
CID 835678
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803
2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(4-propylpiperazine-1,4-diium-1-yl)propyl]acetamide
CID 3645212
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
CID 5002861

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide (CID 4144149) is N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide is Cc1ccc(CNC(=O)CCN2NC(c3ccccc3)=CCC2=O)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide?
The InChIKey is KOQYQTJHHSEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-7-9-17(10-8-16)15-22-20(25)13-14-24-21(26)12-11-19(23-24)18-5-3-2-4-6-18/h2-11,23H,12-15H2,1H3,(H,22,25).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide?
N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide is sourced from PubChem (CID 4144149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).