(E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide

C15H14N2O2 — CID 7478550

IUPAC(E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccccc2)cn1
InChIInChI=1S/C15H14N2O2/c1-19-15-10-8-13(11-16-15)17-14(18)9-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)/b9-7+
InChIKeyTWKTUGFFHGERFN-VQHVLOKHSA-N
MW254.29 g/mol
LogP2.74
Rot. Bonds4

About (E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide

(E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide (PubChem CID 7478550) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide
PubChem CID7478550
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccccc2)cn1
InChIInChI=1S/C15H14N2O2/c1-19-15-10-8-13(11-16-15)17-14(18)9-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)/b9-7+
InChIKeyTWKTUGFFHGERFN-VQHVLOKHSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.74
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)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide (CID 7478550) is (E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccccc2)cn1.
What is the InChIKey of (E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide?
The InChIKey is TWKTUGFFHGERFN-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-15-10-8-13(11-16-15)17-14(18)9-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)/b9-7+.
What are the key properties of (E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide?
(E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide has a molecular weight of 254.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-methoxy-3-pyridinyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 7478550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).