(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide

C24H25ClN4O3 — CID 94069808

IUPAC(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide
SMILESCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@@H](C)C(=O)Nc2ccccc2CC)c1=O
InChIInChI=1S/C24H25ClN4O3/c1-4-16-8-6-7-9-19(16)27-23(31)15(3)29-24(32)21(26-22(30)5-2)14-20(28-29)17-10-12-18(25)13-11-17/h6-15H,4-5H2,1-3H3,(H,26,30)(H,27,31)/t15-/m0/s1
InChIKeyUGMCKUJNWGMTFL-HNNXBMFYSA-N
MW452.94 g/mol
LogP4.67
Rot. Bonds7

About (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide

(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide (PubChem CID 94069808) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide
PubChem CID94069808
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide
SMILESCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@@H](C)C(=O)Nc2ccccc2CC)c1=O
InChIInChI=1S/C24H25ClN4O3/c1-4-16-8-6-7-9-19(16)27-23(31)15(3)29-24(32)21(26-22(30)5-2)14-20(28-29)17-10-12-18(25)13-11-17/h6-15H,4-5H2,1-3H3,(H,26,30)(H,27,31)/t15-/m0/s1
InChIKeyUGMCKUJNWGMTFL-HNNXBMFYSA-N
XLogP4.67
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide?
The IUPAC name of (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide (CID 94069808) is (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide is CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@@H](C)C(=O)Nc2ccccc2CC)c1=O.
What is the InChIKey of (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide?
The InChIKey is UGMCKUJNWGMTFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-4-16-8-6-7-9-19(16)27-23(31)15(3)29-24(32)21(26-22(30)5-2)14-20(28-29)17-10-12-18(25)13-11-17/h6-15H,4-5H2,1-3H3,(H,26,30)(H,27,31)/t15-/m0/s1.
What are the key properties of (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide?
(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide has a molecular weight of 452.94 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 94069808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).