N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide

C23H24N4O4 — CID 9088869

IUPACN'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
SMILESCc1cccc(O[C@@H](C)C(=O)NNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c1C
InChIInChI=1S/C23H24N4O4/c1-14-9-8-12-20(16(14)3)31-17(4)22(29)24-25-23(30)21-19(28)13-15(2)27(26-21)18-10-6-5-7-11-18/h5-13,17H,1-4H3,(H,24,29)(H,25,30)/t17-/m0/s1
InChIKeyOHRFICILKYNRSQ-KRWDZBQOSA-N
MW420.47 g/mol
LogP2.39
Rot. Bonds5

About N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide

N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide (PubChem CID 9088869) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
PubChem CID9088869
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
SMILESCc1cccc(O[C@@H](C)C(=O)NNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c1C
InChIInChI=1S/C23H24N4O4/c1-14-9-8-12-20(16(14)3)31-17(4)22(29)24-25-23(30)21-19(28)13-15(2)27(26-21)18-10-6-5-7-11-18/h5-13,17H,1-4H3,(H,24,29)(H,25,30)/t17-/m0/s1
InChIKeyOHRFICILKYNRSQ-KRWDZBQOSA-N
XLogP2.39
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide
CID 9425429
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide
CID 9425399
N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 9086701
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9425412
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589345
6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide
CID 46470785
N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 52843256
N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46522145
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 51192314
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
The IUPAC name of N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide (CID 9088869) is N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide.
What is the SMILES notation for N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
The canonical SMILES for N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide is Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c1C.
What is the InChIKey of N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
The InChIKey is OHRFICILKYNRSQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-9-8-12-20(16(14)3)31-17(4)22(29)24-25-23(30)21-19(28)13-15(2)27(26-21)18-10-6-5-7-11-18/h5-13,17H,1-4H3,(H,24,29)(H,25,30)/t17-/m0/s1.
What are the key properties of N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide has a molecular weight of 420.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide is sourced from PubChem (CID 9088869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).