[(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate

C16H16N2O3 — CID 6250549

IUPAC[(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)O/N=C(/C)c1ccncc1
InChIInChI=1S/C16H16N2O3/c1-3-20-15-7-5-4-6-14(15)16(19)21-18-12(2)13-8-10-17-11-9-13/h4-11H,3H2,1-2H3/b18-12-
InChIKeyYZSJTTGVOAGKSB-PDGQHHTCSA-N
MW284.31 g/mol
LogP3.06
Rot. Bonds5

About [(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate

[(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate (PubChem CID 6250549) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is [(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate.

Molecular Properties

Compound Name[(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate
PubChem CID6250549
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name[(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)O/N=C(/C)c1ccncc1
InChIInChI=1S/C16H16N2O3/c1-3-20-15-7-5-4-6-14(15)16(19)21-18-12(2)13-8-10-17-11-9-13/h4-11H,3H2,1-2H3/b18-12-
InChIKeyYZSJTTGVOAGKSB-PDGQHHTCSA-N
XLogP3.06
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-pyridin-4-ylethylideneamino] 2-bromobenzoate
CID 17365757
2-ethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzamide
CID 142204372
(1-pyridin-4-ylethylideneamino) acetate
CID 585758
2-ethoxybenzenecarboperoxoic acid
CID 22314606
1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one
CID 66469435
(N-hydroxy-C-methylcarbonimidoyl) 2-ethoxybenzoate
CID 154337054
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide
CID 6302652
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336
[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606844
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate?
The IUPAC name of [(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate (CID 6250549) is [(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate.
What is the SMILES notation for [(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate?
The canonical SMILES for [(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate is CCOc1ccccc1C(=O)O/N=C(/C)c1ccncc1.
What is the InChIKey of [(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate?
The InChIKey is YZSJTTGVOAGKSB-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-20-15-7-5-4-6-14(15)16(19)21-18-12(2)13-8-10-17-11-9-13/h4-11H,3H2,1-2H3/b18-12-.
What are the key properties of [(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate?
[(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate has a molecular weight of 284.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate is sourced from PubChem (CID 6250549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).