N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide

C17H18N2O4 — CID 1483582

IUPACN-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2cc(OC)ccc2OC)c1=O
InChIInChI=1S/C17H18N2O4/c1-4-9-19-10-5-6-13(17(19)21)16(20)18-14-11-12(22-2)7-8-15(14)23-3/h4-8,10-11H,1,9H2,2-3H3,(H,18,20)
InChIKeyYWQWFGHFXIUNMB-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.30
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide

N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (PubChem CID 1483582) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
PubChem CID1483582
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2cc(OC)ccc2OC)c1=O
InChIInChI=1S/C17H18N2O4/c1-4-9-19-10-5-6-13(17(19)21)16(20)18-14-11-12(22-2)7-8-15(14)23-3/h4-8,10-11H,1,9H2,2-3H3,(H,18,20)
InChIKeyYWQWFGHFXIUNMB-UHFFFAOYSA-N
XLogP2.30
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (CID 1483582) is N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is C=CCn1cccc(C(=O)Nc2cc(OC)ccc2OC)c1=O.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The InChIKey is YWQWFGHFXIUNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-4-9-19-10-5-6-13(17(19)21)16(20)18-14-11-12(22-2)7-8-15(14)23-3/h4-8,10-11H,1,9H2,2-3H3,(H,18,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 1483582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).