(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide

C24H26N4O3 — CID 27262351

IUPAC(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(C)cc3)n2)ccc1C
InChIInChI=1S/C24H26N4O3/c1-5-22(29)26-21-14-18(9-8-16(21)3)20-12-13-23(30)28(27-20)17(4)24(31)25-19-10-6-15(2)7-11-19/h6-14,17H,5H2,1-4H3,(H,25,31)(H,26,29)/t17-/m1/s1
InChIKeyLCBRIBPFOVDDTN-QGZVFWFLSA-N
MW418.50 g/mol
LogP4.08
Rot. Bonds6

About (2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide

(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide (PubChem CID 27262351) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
PubChem CID27262351
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(C)cc3)n2)ccc1C
InChIInChI=1S/C24H26N4O3/c1-5-22(29)26-21-14-18(9-8-16(21)3)20-12-13-23(30)28(27-20)17(4)24(31)25-19-10-6-15(2)7-11-19/h6-14,17H,5H2,1-4H3,(H,25,31)(H,26,29)/t17-/m1/s1
InChIKeyLCBRIBPFOVDDTN-QGZVFWFLSA-N
XLogP4.08
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27261745
N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101160
(2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 27243865
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
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-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 27518001
(2S)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 27244507
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 25249782
(2R)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 28623322
N-(2,6-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 50744778
N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121101308

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide (CID 27262351) is (2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide is CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(C)cc3)n2)ccc1C.
What is the InChIKey of (2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide?
The InChIKey is LCBRIBPFOVDDTN-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-5-22(29)26-21-14-18(9-8-16(21)3)20-12-13-23(30)28(27-20)17(4)24(31)25-19-10-6-15(2)7-11-19/h6-14,17H,5H2,1-4H3,(H,25,31)(H,26,29)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide?
(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide has a molecular weight of 418.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 27262351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).