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

C15H13ClN2O2 — CID 1486110

IUPACN-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H13ClN2O2/c1-2-9-18-10-3-4-13(15(18)20)14(19)17-12-7-5-11(16)6-8-12/h2-8,10H,1,9H2,(H,17,19)
InChIKeyYEIWAXMYJGLJDB-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.94
Rot. Bonds4

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

N-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (PubChem CID 1486110) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
PubChem CID1486110
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H13ClN2O2/c1-2-9-18-10-3-4-13(15(18)20)14(19)17-12-7-5-11(16)6-8-12/h2-8,10H,1,9H2,(H,17,19)
InChIKeyYEIWAXMYJGLJDB-UHFFFAOYSA-N
XLogP2.94
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (CID 1486110) is N-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is C=CCn1cccc(C(=O)Nc2ccc(Cl)cc2)c1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The InChIKey is YEIWAXMYJGLJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-2-9-18-10-3-4-13(15(18)20)14(19)17-12-7-5-11(16)6-8-12/h2-8,10H,1,9H2,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
N-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide has a molecular weight of 288.73 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 1486110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).