N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide

C20H20N4O2 — CID 121101160

IUPACN-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)n2nc(-c3ccncc3)ccc2=O)c1
InChIInChI=1S/C20H20N4O2/c1-13-4-5-14(2)18(12-13)22-20(26)15(3)24-19(25)7-6-17(23-24)16-8-10-21-11-9-16/h4-12,15H,1-3H3,(H,22,26)
InChIKeyIJTYFOPESYFAOV-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.12
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide

N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide (PubChem CID 121101160) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
PubChem CID121101160
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)n2nc(-c3ccncc3)ccc2=O)c1
InChIInChI=1S/C20H20N4O2/c1-13-4-5-14(2)18(12-13)22-20(26)15(3)24-19(25)7-6-17(23-24)16-8-10-21-11-9-16/h4-12,15H,1-3H3,(H,22,26)
InChIKeyIJTYFOPESYFAOV-UHFFFAOYSA-N
XLogP3.12
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101246
(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27262351
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 25249782
ethyl 2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]benzoate
CID 121101150
2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
CID 121101297
N-[5-[1-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-6-oxopyridazin-3-yl]-2-methylphenyl]-2-methylpropanamide
CID 27260776
(2S)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 27245360
N-(2,5-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537266
N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101126
(2S)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 27244507
(2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 40640805

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide (CID 121101160) is N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide is Cc1ccc(C)c(NC(=O)C(C)n2nc(-c3ccncc3)ccc2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The InChIKey is IJTYFOPESYFAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-4-5-14(2)18(12-13)22-20(26)15(3)24-19(25)7-6-17(23-24)16-8-10-21-11-9-16/h4-12,15H,1-3H3,(H,22,26).
What are the key properties of N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide has a molecular weight of 348.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121101160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).