(E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide

C23H22N2O2 — CID 46084806

IUPAC(E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)Nc1cccc(-c2cccc(-c3ccc(OC)cc3)n2)c1
InChIInChI=1S/C23H22N2O2/c1-4-16(2)23(26)24-19-8-5-7-18(15-19)22-10-6-9-21(25-22)17-11-13-20(27-3)14-12-17/h4-15H,1-3H3,(H,24,26)/b16-4+
InChIKeySNZXGBCHKPUAAV-AYSLTRBKSA-N
MW358.44 g/mol
LogP5.33
Rot. Bonds5

About (E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide

(E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide (PubChem CID 46084806) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide
PubChem CID46084806
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)Nc1cccc(-c2cccc(-c3ccc(OC)cc3)n2)c1
InChIInChI=1S/C23H22N2O2/c1-4-16(2)23(26)24-19-8-5-7-18(15-19)22-10-6-9-21(25-22)17-11-13-20(27-3)14-12-17/h4-15H,1-3H3,(H,24,26)/b16-4+
InChIKeySNZXGBCHKPUAAV-AYSLTRBKSA-N
XLogP5.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.33
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-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide?
The IUPAC name of (E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide (CID 46084806) is (E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide is C/C=C(\C)C(=O)Nc1cccc(-c2cccc(-c3ccc(OC)cc3)n2)c1.
What is the InChIKey of (E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide?
The InChIKey is SNZXGBCHKPUAAV-AYSLTRBKSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-4-16(2)23(26)24-19-8-5-7-18(15-19)22-10-6-9-21(25-22)17-11-13-20(27-3)14-12-17/h4-15H,1-3H3,(H,24,26)/b16-4+.
What are the key properties of (E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide?
(E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide has a molecular weight of 358.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbut-2-enamide is sourced from PubChem (CID 46084806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).