3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide

C16H16N4O3 — CID 6881848

IUPAC3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N/N=C/c2cccnc2)c1
InChIInChI=1S/C16H16N4O3/c1-23-14-6-2-5-13(8-14)16(22)18-11-15(21)20-19-10-12-4-3-7-17-9-12/h2-10H,11H2,1H3,(H,18,22)(H,20,21)/b19-10+
InChIKeyFQTFGIVXEJLBQP-VXLYETTFSA-N
MW312.33 g/mol
LogP0.97
Rot. Bonds6

About 3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide

3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide (PubChem CID 6881848) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
PubChem CID6881848
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N/N=C/c2cccnc2)c1
InChIInChI=1S/C16H16N4O3/c1-23-14-6-2-5-13(8-14)16(22)18-11-15(21)20-19-10-12-4-3-7-17-9-12/h2-10H,11H2,1H3,(H,18,22)(H,20,21)/b19-10+
InChIKeyFQTFGIVXEJLBQP-VXLYETTFSA-N
XLogP0.97
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-(3-methoxyphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19208665
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
CID 5207082
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
N-[2-[(2E)-2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methoxybenzamide
CID 73332611
N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
CID 6880817
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
2-chloro-N-[2-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4605421
2-(2-methoxyanilino)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 717684
[3-[(E)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51061451
N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 6002218
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
4-methoxy-N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4998778

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide (CID 6881848) is 3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide is COc1cccc(C(=O)NCC(=O)N/N=C/c2cccnc2)c1.
What is the InChIKey of 3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide?
The InChIKey is FQTFGIVXEJLBQP-VXLYETTFSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-14-6-2-5-13(8-14)16(22)18-11-15(21)20-19-10-12-4-3-7-17-9-12/h2-10H,11H2,1H3,(H,18,22)(H,20,21)/b19-10+.
What are the key properties of 3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide?
3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide has a molecular weight of 312.33 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 6881848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).