4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

C20H17N3O — CID 4586185

IUPAC4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESCc1ccc(C(=O)NN=C(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C20H17N3O/c1-15-10-12-17(13-11-15)20(24)23-22-19(16-7-3-2-4-8-16)18-9-5-6-14-21-18/h2-14H,1H3,(H,23,24)
InChIKeySPYYGWNDTMXDGH-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.57
Rot. Bonds4

About 4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide (PubChem CID 4586185) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
PubChem CID4586185
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESCc1ccc(C(=O)NN=C(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C20H17N3O/c1-15-10-12-17(13-11-15)20(24)23-22-19(16-7-3-2-4-8-16)18-9-5-6-14-21-18/h2-14H,1H3,(H,23,24)
InChIKeySPYYGWNDTMXDGH-UHFFFAOYSA-N
XLogP3.57
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
CID 5232709
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033
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
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The IUPAC name of 4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide (CID 4586185) is 4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide.
What is the SMILES notation for 4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The canonical SMILES for 4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide is Cc1ccc(C(=O)NN=C(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The InChIKey is SPYYGWNDTMXDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-15-10-12-17(13-11-15)20(24)23-22-19(16-7-3-2-4-8-16)18-9-5-6-14-21-18/h2-14H,1H3,(H,23,24).
What are the key properties of 4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide has a molecular weight of 315.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide is sourced from PubChem (CID 4586185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).