[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate

C19H15N3O2 — CID 5335232

IUPAC[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O/N=C(\c1ccccc1)c1ccccn1
InChIInChI=1S/C19H15N3O2/c23-19(21-16-11-5-2-6-12-16)24-22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1-14H,(H,21,23)/b22-18+
InChIKeyFNWSGRZAEJCCPI-RELWKKBWSA-N
MW317.35 g/mol
LogP4.08
Rot. Bonds4

About [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate

[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate (PubChem CID 5335232) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate.

Molecular Properties

Compound Name[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate
PubChem CID5335232
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O/N=C(\c1ccccc1)c1ccccn1
InChIInChI=1S/C19H15N3O2/c23-19(21-16-11-5-2-6-12-16)24-22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1-14H,(H,21,23)/b22-18+
InChIKeyFNWSGRZAEJCCPI-RELWKKBWSA-N
XLogP4.08
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
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'}

Analyze [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate?
The IUPAC name of [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate (CID 5335232) is [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate.
What is the SMILES notation for [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate?
The canonical SMILES for [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate is O=C(Nc1ccccc1)O/N=C(\c1ccccc1)c1ccccn1.
What is the InChIKey of [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate?
The InChIKey is FNWSGRZAEJCCPI-RELWKKBWSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-19(21-16-11-5-2-6-12-16)24-22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1-14H,(H,21,23)/b22-18+.
What are the key properties of [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate?
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate has a molecular weight of 317.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-phenylcarbamate is sourced from PubChem (CID 5335232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).