N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide

C15H13FN2O2 — CID 2800713

IUPACN-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O2/c1-10(2)14(19)18-13-4-3-9-17-15(13)20-12-7-5-11(16)6-8-12/h3-9H,1H2,2H3,(H,18,19)
InChIKeyVGXSDMQGVMARBV-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.53
Rot. Bonds4

About N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide

N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide (PubChem CID 2800713) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide
PubChem CID2800713
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC NameN-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O2/c1-10(2)14(19)18-13-4-3-9-17-15(13)20-12-7-5-11(16)6-8-12/h3-9H,1H2,2H3,(H,18,19)
InChIKeyVGXSDMQGVMARBV-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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 N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide (CID 2800713) is N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1cccnc1Oc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide?
The InChIKey is VGXSDMQGVMARBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-10(2)14(19)18-13-4-3-9-17-15(13)20-12-7-5-11(16)6-8-12/h3-9H,1H2,2H3,(H,18,19).
What are the key properties of N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide?
N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide has a molecular weight of 272.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)-3-pyridinyl]-2-methylprop-2-enamide is sourced from PubChem (CID 2800713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).