(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide

C23H24ClN3O5 — CID 92880959

IUPAC(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
SMILESCOc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1Cl
InChIInChI=1S/C23H24ClN3O5/c1-13-6-7-16(10-14(13)2)27-22(28)9-8-21(26-27)32-15(3)23(29)25-18-11-17(24)19(30-4)12-20(18)31-5/h6-12,15H,1-5H3,(H,25,29)/t15-/m1/s1
InChIKeyNBSDCBKSXFDSEN-OAHLLOKOSA-N
MW457.91 g/mol
LogP3.93
Rot. Bonds7

About (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide

(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide (PubChem CID 92880959) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
PubChem CID92880959
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC Name(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
SMILESCOc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1Cl
InChIInChI=1S/C23H24ClN3O5/c1-13-6-7-16(10-14(13)2)27-22(28)9-8-21(26-27)32-15(3)23(29)25-18-11-17(24)19(30-4)12-20(18)31-5/h6-12,15H,1-5H3,(H,25,29)/t15-/m1/s1
InChIKeyNBSDCBKSXFDSEN-OAHLLOKOSA-N
XLogP3.93
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381627
(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 95085426
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880949
N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381403
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 46383711
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 46381615
2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methoxy-5-methylphenyl)propanamide
CID 46381519
ethyl 4-[[(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92881002
(2R)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880947
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381451
N-(2-chloro-4-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381503
N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381499

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The IUPAC name of (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide (CID 92880959) is (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The canonical SMILES for (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide is COc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1Cl.
What is the InChIKey of (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The InChIKey is NBSDCBKSXFDSEN-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c1-13-6-7-16(10-14(13)2)27-22(28)9-8-21(26-27)32-15(3)23(29)25-18-11-17(24)19(30-4)12-20(18)31-5/h6-12,15H,1-5H3,(H,25,29)/t15-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide?
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide has a molecular weight of 457.91 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide is sourced from PubChem (CID 92880959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).