[[phenyl(pyridin-4-yl)methylidene]amino] benzoate

C19H14N2O2 — CID 3506400

IUPAC[[phenyl(pyridin-4-yl)methylidene]amino] benzoate
SMILESO=C(ON=C(c1ccccc1)c1ccncc1)c1ccccc1
InChIInChI=1S/C19H14N2O2/c22-19(17-9-5-2-6-10-17)23-21-18(15-7-3-1-4-8-15)16-11-13-20-14-12-16/h1-14H
InChIKeyQSAIOHCGJHIPDC-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.69
Rot. Bonds4

About [[phenyl(pyridin-4-yl)methylidene]amino] benzoate

[[phenyl(pyridin-4-yl)methylidene]amino] benzoate (PubChem CID 3506400) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is [[phenyl(pyridin-4-yl)methylidene]amino] benzoate.

Molecular Properties

Compound Name[[phenyl(pyridin-4-yl)methylidene]amino] benzoate
PubChem CID3506400
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name[[phenyl(pyridin-4-yl)methylidene]amino] benzoate
SMILESO=C(ON=C(c1ccccc1)c1ccncc1)c1ccccc1
InChIInChI=1S/C19H14N2O2/c22-19(17-9-5-2-6-10-17)23-21-18(15-7-3-1-4-8-15)16-11-13-20-14-12-16/h1-14H
InChIKeyQSAIOHCGJHIPDC-UHFFFAOYSA-N
XLogP3.69
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(benzhydrylideneamino) pyrazine-2-carboxylate
CID 13331734
(benzhydrylideneamino) hydrogen carbonate
CID 91323284
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
CID 5340818
[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate
CID 6896284
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734
4-benzoyloxybuta-1,3-diynyl pyridine-4-carboxylate
CID 20695320
benzamide;pyridine-4-carboxamide
CID 175267661
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate
CID 43915241
N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide
CID 4192624
[[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate
CID 71948520
[(Z)-[amino(pyridin-4-yl)methylidene]amino] 3-iodobenzoate
CID 5349034

Frequently Asked Questions

What is the IUPAC name of [[phenyl(pyridin-4-yl)methylidene]amino] benzoate?
The IUPAC name of [[phenyl(pyridin-4-yl)methylidene]amino] benzoate (CID 3506400) is [[phenyl(pyridin-4-yl)methylidene]amino] benzoate.
What is the SMILES notation for [[phenyl(pyridin-4-yl)methylidene]amino] benzoate?
The canonical SMILES for [[phenyl(pyridin-4-yl)methylidene]amino] benzoate is O=C(ON=C(c1ccccc1)c1ccncc1)c1ccccc1.
What is the InChIKey of [[phenyl(pyridin-4-yl)methylidene]amino] benzoate?
The InChIKey is QSAIOHCGJHIPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-19(17-9-5-2-6-10-17)23-21-18(15-7-3-1-4-8-15)16-11-13-20-14-12-16/h1-14H.
What are the key properties of [[phenyl(pyridin-4-yl)methylidene]amino] benzoate?
[[phenyl(pyridin-4-yl)methylidene]amino] benzoate has a molecular weight of 302.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[phenyl(pyridin-4-yl)methylidene]amino] benzoate is sourced from PubChem (CID 3506400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).