N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide

C17H18N2O2 — CID 1486113

IUPACN-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C17H18N2O2/c1-4-9-19-10-5-6-15(17(19)21)16(20)18-14-8-7-12(2)13(3)11-14/h4-8,10-11H,1,9H2,2-3H3,(H,18,20)
InChIKeyRVHBSTSITKZNSL-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.90
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide

N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (PubChem CID 1486113) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
PubChem CID1486113
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C17H18N2O2/c1-4-9-19-10-5-6-15(17(19)21)16(20)18-14-8-7-12(2)13(3)11-14/h4-8,10-11H,1,9H2,2-3H3,(H,18,20)
InChIKeyRVHBSTSITKZNSL-UHFFFAOYSA-N
XLogP2.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (CID 1486113) is N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is C=CCn1cccc(C(=O)Nc2ccc(C)c(C)c2)c1=O.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The InChIKey is RVHBSTSITKZNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-4-9-19-10-5-6-15(17(19)21)16(20)18-14-8-7-12(2)13(3)11-14/h4-8,10-11H,1,9H2,2-3H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 1486113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).