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

C16H16N4O3 — CID 3097740

IUPAC2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NN=Cc1ccccn1
InChIInChI=1S/C16H16N4O3/c1-23-14-8-3-2-7-13(14)16(22)18-11-15(21)20-19-10-12-6-4-5-9-17-12/h2-10H,11H2,1H3,(H,18,22)(H,20,21)
InChIKeyJFWDKQFQPIUOGW-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.97
Rot. Bonds6

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

2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide (PubChem CID 3097740) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide
PubChem CID3097740
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NN=Cc1ccccn1
InChIInChI=1S/C16H16N4O3/c1-23-14-8-3-2-7-13(14)16(22)18-11-15(21)20-19-10-12-6-4-5-9-17-12/h2-10H,11H2,1H3,(H,18,22)(H,20,21)
InChIKeyJFWDKQFQPIUOGW-UHFFFAOYSA-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

N-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4311904
N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 6144612
4-[(E)-[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6895010
4-[[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 2195688
2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3400317
2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3948126
N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4289285
2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3907655
2-methoxy-N-[2-[2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4007452
2-methoxy-N-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6107015
2,5-dimethoxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5414466
2-(4-methoxyphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5425519

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide (CID 3097740) is 2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide is COc1ccccc1C(=O)NCC(=O)NN=Cc1ccccn1.
What is the InChIKey of 2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
The InChIKey is JFWDKQFQPIUOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-14-8-3-2-7-13(14)16(22)18-11-15(21)20-19-10-12-6-4-5-9-17-12/h2-10H,11H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
2-methoxy-N-[2-oxo-2-[2-(pyridin-2-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 2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 3097740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).