(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide

C20H24ClN3O3 — CID 92881198

IUPAC(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide
SMILESCc1ccc(Cl)cc1-n1nc(O[C@@H](C)C(=O)NC2CCCCC2)ccc1=O
InChIInChI=1S/C20H24ClN3O3/c1-13-8-9-15(21)12-17(13)24-19(25)11-10-18(23-24)27-14(2)20(26)22-16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyBGLRTUAXMLJOTQ-AWEZNQCLSA-N
MW389.88 g/mol
LogP3.41
Rot. Bonds5

About (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide

(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide (PubChem CID 92881198) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide
PubChem CID92881198
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide
SMILESCc1ccc(Cl)cc1-n1nc(O[C@@H](C)C(=O)NC2CCCCC2)ccc1=O
InChIInChI=1S/C20H24ClN3O3/c1-13-8-9-15(21)12-17(13)24-19(25)11-10-18(23-24)27-14(2)20(26)22-16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyBGLRTUAXMLJOTQ-AWEZNQCLSA-N
XLogP3.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide 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

N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 53106944
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46381733
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide
CID 92881183
(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 92881204
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide
CID 46381681
(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2,5-dimethoxyphenyl)methyl]butanamide
CID 92881120
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 46381669
1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide
CID 44782567
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide
CID 92881079
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
CID 78933522
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880959

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide?
The IUPAC name of (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide (CID 92881198) is (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide.
What is the SMILES notation for (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide?
The canonical SMILES for (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide is Cc1ccc(Cl)cc1-n1nc(O[C@@H](C)C(=O)NC2CCCCC2)ccc1=O.
What is the InChIKey of (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide?
The InChIKey is BGLRTUAXMLJOTQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-13-8-9-15(21)12-17(13)24-19(25)11-10-18(23-24)27-14(2)20(26)22-16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide?
(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide has a molecular weight of 389.88 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-cyclohexylpropanamide is sourced from PubChem (CID 92881198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).