3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide

C20H25N3O4 — CID 6036284

IUPAC3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide
SMILESCCOc1cc(C(=O)N/N=C(/C)c2cccnc2)cc(OCC)c1OCC
InChIInChI=1S/C20H25N3O4/c1-5-25-17-11-16(12-18(26-6-2)19(17)27-7-3)20(24)23-22-14(4)15-9-8-10-21-13-15/h8-13H,5-7H2,1-4H3,(H,23,24)/b22-14-
InChIKeyGHLJTDNJFDTASO-HMAPJEAMSA-N
MW371.44 g/mol
LogP3.43
Rot. Bonds9

About 3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide

3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide (PubChem CID 6036284) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide
PubChem CID6036284
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide
SMILESCCOc1cc(C(=O)N/N=C(/C)c2cccnc2)cc(OCC)c1OCC
InChIInChI=1S/C20H25N3O4/c1-5-25-17-11-16(12-18(26-6-2)19(17)27-7-3)20(24)23-22-14(4)15-9-8-10-21-13-15/h8-13H,5-7H2,1-4H3,(H,23,24)/b22-14-
InChIKeyGHLJTDNJFDTASO-HMAPJEAMSA-N
XLogP3.43
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
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

3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 4105259
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 3718576
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
CID 19685354
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 25237307
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
2-ethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzamide
CID 142204372

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide (CID 6036284) is 3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide is CCOc1cc(C(=O)N/N=C(/C)c2cccnc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide?
The InChIKey is GHLJTDNJFDTASO-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-5-25-17-11-16(12-18(26-6-2)19(17)27-7-3)20(24)23-22-14(4)15-9-8-10-21-13-15/h8-13H,5-7H2,1-4H3,(H,23,24)/b22-14-.
What are the key properties of 3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide?
3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide is sourced from PubChem (CID 6036284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).