5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide

C15H13ClN2O3 — CID 89301360

IUPAC5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
SMILESC=C(O)CNC(=O)c1ncc(-c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C15H13ClN2O3/c1-9(19)7-18-15(21)14-13(20)6-11(8-17-14)10-2-4-12(16)5-3-10/h2-6,8,19-20H,1,7H2,(H,18,21)
InChIKeyIFONUQCTZYUUFF-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.91
Rot. Bonds4

About 5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide

5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide (PubChem CID 89301360) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
PubChem CID89301360
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
SMILESC=C(O)CNC(=O)c1ncc(-c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C15H13ClN2O3/c1-9(19)7-18-15(21)14-13(20)6-11(8-17-14)10-2-4-12(16)5-3-10/h2-6,8,19-20H,1,7H2,(H,18,21)
InChIKeyIFONUQCTZYUUFF-UHFFFAOYSA-N
XLogP2.91
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide (CID 89301360) is 5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide is C=C(O)CNC(=O)c1ncc(-c2ccc(Cl)cc2)cc1O.
What is the InChIKey of 5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide?
The InChIKey is IFONUQCTZYUUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9(19)7-18-15(21)14-13(20)6-11(8-17-14)10-2-4-12(16)5-3-10/h2-6,8,19-20H,1,7H2,(H,18,21).
What are the key properties of 5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide?
5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide has a molecular weight of 304.73 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide is sourced from PubChem (CID 89301360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).