3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

C16H17N3O3 — CID 9461008

IUPAC3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C(/C)c2ccccn2)c1
InChIInChI=1S/C16H17N3O3/c1-11(15-6-4-5-7-17-15)18-19-16(20)12-8-13(21-2)10-14(9-12)22-3/h4-10H,1-3H3,(H,19,20)/b18-11-
InChIKeyVVTJUOHPIPAJBB-WQRHYEAKSA-N
MW299.33 g/mol
LogP2.25
Rot. Bonds5

About 3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (PubChem CID 9461008) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
PubChem CID9461008
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C(/C)c2ccccn2)c1
InChIInChI=1S/C16H17N3O3/c1-11(15-6-4-5-7-17-15)18-19-16(20)12-8-13(21-2)10-14(9-12)22-3/h4-10H,1-3H3,(H,19,20)/b18-11-
InChIKeyVVTJUOHPIPAJBB-WQRHYEAKSA-N
XLogP2.25
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
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

3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 40532157
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9215537
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 29144925
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5238816
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428
3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872063
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (CID 9461008) is 3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is COc1cc(OC)cc(C(=O)N/N=C(/C)c2ccccn2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The InChIKey is VVTJUOHPIPAJBB-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(15-6-4-5-7-17-15)18-19-16(20)12-8-13(21-2)10-14(9-12)22-3/h4-10H,1-3H3,(H,19,20)/b18-11-.
What are the key properties of 3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide has a molecular weight of 299.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is sourced from PubChem (CID 9461008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).