3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

C20H17N3O2 — CID 840468

IUPAC3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESCOc1cccc(C(=O)NN=C(c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C20H17N3O2/c1-25-17-11-7-10-16(14-17)20(24)23-22-19(15-8-3-2-4-9-15)18-12-5-6-13-21-18/h2-14H,1H3,(H,23,24)
InChIKeyMDECPEJRIVFAAD-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.27
Rot. Bonds5

About 3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide (PubChem CID 840468) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
PubChem CID840468
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESCOc1cccc(C(=O)NN=C(c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C20H17N3O2/c1-25-17-11-7-10-16(14-17)20(24)23-22-19(15-8-3-2-4-9-15)18-12-5-6-13-21-18/h2-14H,1H3,(H,23,24)
InChIKeyMDECPEJRIVFAAD-UHFFFAOYSA-N
XLogP3.27
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6064728
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 4152734
2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4536302
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6263348
2-hydroxy-2-phenyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 5220339
2-hydroxy-2-phenyl-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 6305283

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The IUPAC name of 3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide (CID 840468) is 3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide.
What is the SMILES notation for 3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The canonical SMILES for 3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide is COc1cccc(C(=O)NN=C(c2ccccc2)c2ccccn2)c1.
What is the InChIKey of 3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The InChIKey is MDECPEJRIVFAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-25-17-11-7-10-16(14-17)20(24)23-22-19(15-8-3-2-4-9-15)18-12-5-6-13-21-18/h2-14H,1H3,(H,23,24).
What are the key properties of 3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide has a molecular weight of 331.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide is sourced from PubChem (CID 840468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).