3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one

C21H16N2O2 — CID 44528649

IUPAC3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one
SMILESCOc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)ccn1
InChIInChI=1S/C21H16N2O2/c1-25-18-13-15(11-12-22-18)23-20-16-9-5-6-10-17(16)21(24)19(20)14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23)
InChIKeyYUQFTADMLRUHCE-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.27
Rot. Bonds4

About 3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one

3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one (PubChem CID 44528649) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one.

Molecular Properties

Compound Name3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one
PubChem CID44528649
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one
SMILESCOc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)ccn1
InChIInChI=1S/C21H16N2O2/c1-25-18-13-15(11-12-22-18)23-20-16-9-5-6-10-17(16)21(24)19(20)14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23)
InChIKeyYUQFTADMLRUHCE-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one?
The IUPAC name of 3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one (CID 44528649) is 3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one.
What is the SMILES notation for 3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one?
The canonical SMILES for 3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one is COc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)ccn1.
What is the InChIKey of 3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one?
The InChIKey is YUQFTADMLRUHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-25-18-13-15(11-12-22-18)23-20-16-9-5-6-10-17(16)21(24)19(20)14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23).
What are the key properties of 3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one?
3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one has a molecular weight of 328.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-4-pyridinyl)amino]-2-phenylinden-1-one is sourced from PubChem (CID 44528649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).