(E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide

C15H13FN2O2 — CID 7478561

IUPAC(E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cn1
InChIInChI=1S/C15H13FN2O2/c1-20-15-9-7-13(10-17-15)18-14(19)8-4-11-2-5-12(16)6-3-11/h2-10H,1H3,(H,18,19)/b8-4+
InChIKeyUTOMCTTWLQIFBA-XBXARRHUSA-N
MW272.28 g/mol
LogP2.88
Rot. Bonds4

About (E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide

(E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide (PubChem CID 7478561) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
PubChem CID7478561
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name(E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cn1
InChIInChI=1S/C15H13FN2O2/c1-20-15-9-7-13(10-17-15)18-14(19)8-4-11-2-5-12(16)6-3-11/h2-10H,1H3,(H,18,19)/b8-4+
InChIKeyUTOMCTTWLQIFBA-XBXARRHUSA-N
XLogP2.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide (CID 7478561) is (E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cn1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The InChIKey is UTOMCTTWLQIFBA-XBXARRHUSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-20-15-9-7-13(10-17-15)18-14(19)8-4-11-2-5-12(16)6-3-11/h2-10H,1H3,(H,18,19)/b8-4+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide has a molecular weight of 272.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 7478561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).