N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide

C17H18N4O4 — CID 5207082

IUPACN-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)cc1OC
InChIInChI=1S/C17H18N4O4/c1-24-14-6-5-12(8-15(14)25-2)9-20-21-16(22)11-19-17(23)13-4-3-7-18-10-13/h3-10H,11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyYLRAQZLWOWNDMF-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.98
Rot. Bonds7

About N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide

N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 5207082) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID5207082
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)cc1OC
InChIInChI=1S/C17H18N4O4/c1-24-14-6-5-12(8-15(14)25-2)9-20-21-16(22)11-19-17(23)13-4-3-7-18-10-13/h3-10H,11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyYLRAQZLWOWNDMF-UHFFFAOYSA-N
XLogP0.98
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
CID 6880817
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 19167941
[2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 24818260
3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
CID 6881848
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
CID 6048916
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6880150
N-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1276215
N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
CID 6106614
N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136861906
[4-[(Z)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] pyridine-3-carboxylate
CID 7428985
4-butoxy-N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3470815
[2-methoxy-4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzenesulfonate
CID 3630214

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide (CID 5207082) is N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide is COc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)cc1OC.
What is the InChIKey of N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is YLRAQZLWOWNDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-24-14-6-5-12(8-15(14)25-2)9-20-21-16(22)11-19-17(23)13-4-3-7-18-10-13/h3-10H,11H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 5207082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).