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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Related Compounds

N-(2,5-Dimethoxyphenyl)acetamide
CID 77015
2',5'-Dimethoxyacetoacetanilide
CID 80777
Ethyl 2-cyano-3-[(2,5-dimethoxyphenyl)amino]prop-2-enoate
CID 1957350
1-(2,5-Dimethoxyphenyl)-1H-pyrrole-2,5-dione
CID 616263
N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
5-[[(2,5-Dimethoxyphenyl)amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 659997
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 1241231
N-(4-methoxyphenyl)-2-oxo-1-propylpyridine-3-carboxamide
CID 1486129
N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 4780294
3-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]propanamide
CID 4879638
N-(3-Methoxy-phenyl)-3-morpholin-4-yl-propionamide
CID 24747003
N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149662

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).