(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide

C15H15N3O3 — CID 122301600

IUPAC(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cnc(OC)nc2)cc1
InChIInChI=1S/C15H15N3O3/c1-20-13-6-3-11(4-7-13)5-8-14(19)18-12-9-16-15(21-2)17-10-12/h3-10H,1-2H3,(H,18,19)/b8-5+
InChIKeyHLGHJTXTVAYXTQ-VMPITWQZSA-N
MW285.30 g/mol
LogP2.15
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide (PubChem CID 122301600) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide
PubChem CID122301600
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cnc(OC)nc2)cc1
InChIInChI=1S/C15H15N3O3/c1-20-13-6-3-11(4-7-13)5-8-14(19)18-12-9-16-15(21-2)17-10-12/h3-10H,1-2H3,(H,18,19)/b8-5+
InChIKeyHLGHJTXTVAYXTQ-VMPITWQZSA-N
XLogP2.15
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 2547662
(E)-3-(4-methoxyphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide
CID 122301086
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)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9192243
(E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 83101611
(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-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
(E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 104820113

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide (CID 122301600) is (E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cnc(OC)nc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide?
The InChIKey is HLGHJTXTVAYXTQ-VMPITWQZSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-20-13-6-3-11(4-7-13)5-8-14(19)18-12-9-16-15(21-2)17-10-12/h3-10H,1-2H3,(H,18,19)/b8-5+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide has a molecular weight of 285.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 122301600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).