(2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide

C23H23ClN4O4 — CID 27243865

IUPAC(2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)c(NC(C)=O)c3)ccc2=O)cc1Cl
InChIInChI=1S/C23H23ClN4O4/c1-13-5-6-16(11-20(13)25-15(3)29)19-8-10-22(30)28(27-19)14(2)23(31)26-17-7-9-21(32-4)18(24)12-17/h5-12,14H,1-4H3,(H,25,29)(H,26,31)/t14-/m1/s1
InChIKeyAYZAUNYEDNACNX-CQSZACIVSA-N
MW454.91 g/mol
LogP4.04
Rot. Bonds6

About (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide

(2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 27243865) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID27243865
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC Name(2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)c(NC(C)=O)c3)ccc2=O)cc1Cl
InChIInChI=1S/C23H23ClN4O4/c1-13-5-6-16(11-20(13)25-15(3)29)19-8-10-22(30)28(27-19)14(2)23(31)26-17-7-9-21(32-4)18(24)12-17/h5-12,14H,1-4H3,(H,25,29)(H,26,31)/t14-/m1/s1
InChIKeyAYZAUNYEDNACNX-CQSZACIVSA-N
XLogP4.04
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27262351
(2S)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 27245360
N-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 142338864
N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 50744781
(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623367
(2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27261745
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062265
N-[5-[1-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-6-oxopyridazin-3-yl]-2-methylphenyl]-2-methylpropanamide
CID 27260776
N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101160
N-(2,6-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 50744778
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517903
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide (CID 27243865) is (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)c(NC(C)=O)c3)ccc2=O)cc1Cl.
What is the InChIKey of (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is AYZAUNYEDNACNX-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-13-5-6-16(11-20(13)25-15(3)29)19-8-10-22(30)28(27-19)14(2)23(31)26-17-7-9-21(32-4)18(24)12-17/h5-12,14H,1-4H3,(H,25,29)(H,26,31)/t14-/m1/s1.
What are the key properties of (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide?
(2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide has a molecular weight of 454.91 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 27243865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).