(E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide

C15H13ClN2O2 — CID 935096

IUPAC(E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C15H13ClN2O2/c1-20-12-7-4-11(5-8-12)6-9-14(19)18-13-3-2-10-17-15(13)16/h2-10H,1H3,(H,18,19)/b9-6+
InChIKeyKASIMPUJXPLDTK-RMKNXTFCSA-N
MW288.73 g/mol
LogP3.40
Rot. Bonds4

About (E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 935096) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is (E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID935096
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name(E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C15H13ClN2O2/c1-20-12-7-4-11(5-8-12)6-9-14(19)18-13-3-2-10-17-15(13)16/h2-10H,1H3,(H,18,19)/b9-6+
InChIKeyKASIMPUJXPLDTK-RMKNXTFCSA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 935096) is (E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cccnc2Cl)cc1.
What is the InChIKey of (E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is KASIMPUJXPLDTK-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-20-12-7-4-11(5-8-12)6-9-14(19)18-13-3-2-10-17-15(13)16/h2-10H,1H3,(H,18,19)/b9-6+.
What are the key properties of (E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 288.73 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 935096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).