3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide

C21H24Cl2N6O3 — CID 73226716

IUPAC3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(CNc1cccc(C(=O)NCCN2CCOCC2)c1)NN=Cc1c(Cl)cncc1Cl
InChIInChI=1S/C21H24Cl2N6O3/c22-18-12-24-13-19(23)17(18)11-27-28-20(30)14-26-16-3-1-2-15(10-16)21(31)25-4-5-29-6-8-32-9-7-29/h1-3,10-13,26H,4-9,14H2,(H,25,31)(H,28,30)
InChIKeyDKRABYOJMLGXOH-UHFFFAOYSA-N
MW479.37 g/mol
LogP2.01
Rot. Bonds9

About 3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide

3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 73226716) has the molecular formula C21H24Cl2N6O3 and a molecular weight of 479.37 g/mol. Its IUPAC name is 3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID73226716
Molecular FormulaC21H24Cl2N6O3
Molecular Weight479.37 g/mol
Exact Mass478.13
IUPAC Name3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(CNc1cccc(C(=O)NCCN2CCOCC2)c1)NN=Cc1c(Cl)cncc1Cl
InChIInChI=1S/C21H24Cl2N6O3/c22-18-12-24-13-19(23)17(18)11-27-28-20(30)14-26-16-3-1-2-15(10-16)21(31)25-4-5-29-6-8-32-9-7-29/h1-3,10-13,26H,4-9,14H2,(H,25,31)(H,28,30)
InChIKeyDKRABYOJMLGXOH-UHFFFAOYSA-N
XLogP2.01
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.37
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide 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

3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 3128229
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
5-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229512
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 53319324

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 73226716) is 3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide is O=C(CNc1cccc(C(=O)NCCN2CCOCC2)c1)NN=Cc1c(Cl)cncc1Cl.
What is the InChIKey of 3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is DKRABYOJMLGXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N6O3/c22-18-12-24-13-19(23)17(18)11-27-28-20(30)14-26-16-3-1-2-15(10-16)21(31)25-4-5-29-6-8-32-9-7-29/h1-3,10-13,26H,4-9,14H2,(H,25,31)(H,28,30).
What are the key properties of 3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 479.37 g/mol, XLogP of 2.01, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 73226716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).