2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

C18H20N2O5 — CID 1483581

IUPAC2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O
InChIInChI=1S/C18H20N2O5/c1-5-8-20-9-6-7-13(18(20)22)17(21)19-12-10-14(23-2)16(25-4)15(11-12)24-3/h5-7,9-11H,1,8H2,2-4H3,(H,19,21)
InChIKeyNLCLDDICYILGIS-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.31
Rot. Bonds7

About 2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 1483581) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID1483581
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O
InChIInChI=1S/C18H20N2O5/c1-5-8-20-9-6-7-13(18(20)22)17(21)19-12-10-14(23-2)16(25-4)15(11-12)24-3/h5-7,9-11H,1,8H2,2-4H3,(H,19,21)
InChIKeyNLCLDDICYILGIS-UHFFFAOYSA-N
XLogP2.31
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 1483581) is 2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is C=CCn1cccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O.
What is the InChIKey of 2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is NLCLDDICYILGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-5-8-20-9-6-7-13(18(20)22)17(21)19-12-10-14(23-2)16(25-4)15(11-12)24-3/h5-7,9-11H,1,8H2,2-4H3,(H,19,21).
What are the key properties of 2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-prop-2-enyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1483581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).