N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide

C22H20ClN3O3 — CID 55691668

IUPACN'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2Cl)cc(C)c1OCc1cccnc1
InChIInChI=1S/C22H20ClN3O3/c1-14-10-17(11-15(2)20(14)29-13-16-6-5-9-24-12-16)21(27)25-26-22(28)18-7-3-4-8-19(18)23/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyOPMJCFHHKGMGPR-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.01
Rot. Bonds5

About N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide

N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide (PubChem CID 55691668) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
PubChem CID55691668
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2Cl)cc(C)c1OCc1cccnc1
InChIInChI=1S/C22H20ClN3O3/c1-14-10-17(11-15(2)20(14)29-13-16-6-5-9-24-12-16)21(27)25-26-22(28)18-7-3-4-8-19(18)23/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyOPMJCFHHKGMGPR-UHFFFAOYSA-N
XLogP4.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate
CID 55762087
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320
2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
CID 120518519
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577
N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119608365
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 39709892
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112823978

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide (CID 55691668) is N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide is Cc1cc(C(=O)NNC(=O)c2ccccc2Cl)cc(C)c1OCc1cccnc1.
What is the InChIKey of N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide?
The InChIKey is OPMJCFHHKGMGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-14-10-17(11-15(2)20(14)29-13-16-6-5-9-24-12-16)21(27)25-26-22(28)18-7-3-4-8-19(18)23/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide?
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide has a molecular weight of 409.87 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide is sourced from PubChem (CID 55691668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).