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

C17H17N3O3 — CID 1486117

IUPACN-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1=O
InChIInChI=1S/C17H17N3O3/c1-3-10-20-11-4-5-15(17(20)23)16(22)19-14-8-6-13(7-9-14)18-12(2)21/h3-9,11H,1,10H2,2H3,(H,18,21)(H,19,22)
InChIKeyDYYROVCPHPFWHF-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.24
Rot. Bonds5

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

N-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (PubChem CID 1486117) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
PubChem CID1486117
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1=O
InChIInChI=1S/C17H17N3O3/c1-3-10-20-11-4-5-15(17(20)23)16(22)19-14-8-6-13(7-9-14)18-12(2)21/h3-9,11H,1,10H2,2H3,(H,18,21)(H,19,22)
InChIKeyDYYROVCPHPFWHF-UHFFFAOYSA-N
XLogP2.24
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (CID 1486117) is N-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is C=CCn1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1=O.
What is the InChIKey of N-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The InChIKey is DYYROVCPHPFWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-10-20-11-4-5-15(17(20)23)16(22)19-14-8-6-13(7-9-14)18-12(2)21/h3-9,11H,1,10H2,2H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
N-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 1486117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).