(E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide

C16H14F2N2O3 — CID 2654574

IUPAC(E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)cn1
InChIInChI=1S/C16H14F2N2O3/c1-22-15-9-5-12(10-19-15)20-14(21)8-4-11-2-6-13(7-3-11)23-16(17)18/h2-10,16H,1H3,(H,20,21)/b8-4+
InChIKeyNPQKLSZVUNYYSD-XBXARRHUSA-N
MW320.30 g/mol
LogP3.34
Rot. Bonds6

About (E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide

(E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide (PubChem CID 2654574) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide
PubChem CID2654574
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name(E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)cn1
InChIInChI=1S/C16H14F2N2O3/c1-22-15-9-5-12(10-19-15)20-14(21)8-4-11-2-6-13(7-3-11)23-16(17)18/h2-10,16H,1H3,(H,20,21)/b8-4+
InChIKeyNPQKLSZVUNYYSD-XBXARRHUSA-N
XLogP3.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide (CID 2654574) is (E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)cn1.
What is the InChIKey of (E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The InChIKey is NPQKLSZVUNYYSD-XBXARRHUSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c1-22-15-9-5-12(10-19-15)20-14(21)8-4-11-2-6-13(7-3-11)23-16(17)18/h2-10,16H,1H3,(H,20,21)/b8-4+.
What are the key properties of (E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
(E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide has a molecular weight of 320.30 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 2654574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).