4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

C14H13N3O2 — CID 6870620

IUPAC4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cccnc2)cc1
InChIInChI=1S/C14H13N3O2/c1-19-13-6-4-12(5-7-13)14(18)17-16-10-11-3-2-8-15-9-11/h2-10H,1H3,(H,17,18)/b16-10+
InChIKeyHUDQYVNEQZZAQY-MHWRWJLKSA-N
MW255.28 g/mol
LogP1.85
Rot. Bonds4

About 4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (PubChem CID 6870620) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
PubChem CID6870620
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cccnc2)cc1
InChIInChI=1S/C14H13N3O2/c1-19-13-6-4-12(5-7-13)14(18)17-16-10-11-3-2-8-15-9-11/h2-10H,1H3,(H,17,18)/b16-10+
InChIKeyHUDQYVNEQZZAQY-MHWRWJLKSA-N
XLogP1.85
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.85
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

(E)-N'-(4'-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide (3g)
CID 135412163
Verazide
CID 9574235
Flavoteben
CID 135400468
2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
CID 799060
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
2-Phenoxynicotinohydrazide
CID 2797685
N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6897208
N'-[(E)-(2,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 9571166
N'-(2-methoxybenzylidene)isonicotinohydrazide
CID 9568164
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (CID 6870620) is 4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is COc1ccc(C(=O)N/N=C/c2cccnc2)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The InChIKey is HUDQYVNEQZZAQY-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-13-6-4-12(5-7-13)14(18)17-16-10-11-3-2-8-15-9-11/h2-10H,1H3,(H,17,18)/b16-10+.
What are the key properties of 4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide has a molecular weight of 255.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 6870620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).