6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide

C22H20ClN3O3 — CID 134815918

IUPAC6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(OC)c(/C=N/NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)c1
InChIInChI=1S/C22H20ClN3O3/c1-14-19(9-10-20(25-14)15-4-6-17(23)7-5-15)22(27)26-24-13-16-12-18(28-2)8-11-21(16)29-3/h4-13H,1-3H3,(H,26,27)/b24-13+
InChIKeyHMQYLLJHEKTZQY-ZMOGYAJESA-N
MW409.87 g/mol
LogP4.49
Rot. Bonds6

About 6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide

6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide (PubChem CID 134815918) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide
PubChem CID134815918
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(OC)c(/C=N/NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)c1
InChIInChI=1S/C22H20ClN3O3/c1-14-19(9-10-20(25-14)15-4-6-17(23)7-5-15)22(27)26-24-13-16-12-18(28-2)8-11-21(16)29-3/h4-13H,1-3H3,(H,26,27)/b24-13+
InChIKeyHMQYLLJHEKTZQY-ZMOGYAJESA-N
XLogP4.49
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide 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

2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3623191
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide
CID 155810801
2-chloro-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 7373594
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 6875795
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 4304772
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 6865551
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128449
2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6300942
1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea
CID 155526516
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 760358
5-chloro-2-methoxy-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135683238
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5402501

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide (CID 134815918) is 6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide is COc1ccc(OC)c(/C=N/NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)c1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide?
The InChIKey is HMQYLLJHEKTZQY-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-14-19(9-10-20(25-14)15-4-6-17(23)7-5-15)22(27)26-24-13-16-12-18(28-2)8-11-21(16)29-3/h4-13H,1-3H3,(H,26,27)/b24-13+.
What are the key properties of 6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide?
6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 134815918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).