(E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide

C14H12ClN3O2 — CID 104820113

IUPAC(E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cncc(Cl)n2)cc1
InChIInChI=1S/C14H12ClN3O2/c1-20-11-5-2-10(3-6-11)4-7-14(19)18-13-9-16-8-12(15)17-13/h2-9H,1H3,(H,17,18,19)/b7-4+
InChIKeyAKWSYZDYQWBDBN-QPJJXVBHSA-N
MW289.72 g/mol
LogP2.79
Rot. Bonds4

About (E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 104820113) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is (E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID104820113
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name(E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cncc(Cl)n2)cc1
InChIInChI=1S/C14H12ClN3O2/c1-20-11-5-2-10(3-6-11)4-7-14(19)18-13-9-16-8-12(15)17-13/h2-9H,1H3,(H,17,18,19)/b7-4+
InChIKeyAKWSYZDYQWBDBN-QPJJXVBHSA-N
XLogP2.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide
CID 122301600
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
methyl N-[3-(4-methoxyphenyl)prop-2-enoylamino]carbamate
CID 3316447
(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 2547662
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 883171

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide (CID 104820113) is (E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cncc(Cl)n2)cc1.
What is the InChIKey of (E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is AKWSYZDYQWBDBN-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-20-11-5-2-10(3-6-11)4-7-14(19)18-13-9-16-8-12(15)17-13/h2-9H,1H3,(H,17,18,19)/b7-4+.
What are the key properties of (E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 289.72 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 104820113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).