(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide

C16H16N2O2 — CID 90596212

IUPAC(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C16H16N2O2/c1-2-6-15(19)18-12-13-7-5-8-14(11-13)20-16-9-3-4-10-17-16/h2-11H,12H2,1H3,(H,18,19)/b6-2+
InChIKeyUGDGRKZYYWGYDY-QHHAFSJGSA-N
MW268.32 g/mol
LogP3.07
Rot. Bonds5

About (E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide

(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide (PubChem CID 90596212) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
PubChem CID90596212
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C16H16N2O2/c1-2-6-15(19)18-12-13-7-5-8-14(11-13)20-16-9-3-4-10-17-16/h2-11H,12H2,1H3,(H,18,19)/b6-2+
InChIKeyUGDGRKZYYWGYDY-QHHAFSJGSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.07
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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Related Compounds

2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
N-[(3-ethoxyphenyl)methyl]but-2-enamide
CID 112728923
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 90596022
3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596216
5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 90596276
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide
CID 90596035
2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120054
2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596103
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide;hydrochloride
CID 119099681
3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596092
1-methyl-6-oxo-N-[(3-pyridin-2-yloxyphenyl)methyl]pyridazine-3-carboxamide
CID 90596207

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide?
The IUPAC name of (E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide (CID 90596212) is (E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide?
The canonical SMILES for (E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide is C/C=C/C(=O)NCc1cccc(Oc2ccccn2)c1.
What is the InChIKey of (E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide?
The InChIKey is UGDGRKZYYWGYDY-QHHAFSJGSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-6-15(19)18-12-13-7-5-8-14(11-13)20-16-9-3-4-10-17-16/h2-11H,12H2,1H3,(H,18,19)/b6-2+.
What are the key properties of (E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide?
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide is sourced from PubChem (CID 90596212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).