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

C15H13ClN2O2 — CID 89301361

IUPAC4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
SMILESC=C(O)CNC(=O)c1cc(-c2cccc(Cl)c2)ccn1
InChIInChI=1S/C15H13ClN2O2/c1-10(19)9-18-15(20)14-8-12(5-6-17-14)11-3-2-4-13(16)7-11/h2-8,19H,1,9H2,(H,18,20)
InChIKeySXNQPSAWEJKNTD-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.20
Rot. Bonds4

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

4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide (PubChem CID 89301361) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
PubChem CID89301361
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
SMILESC=C(O)CNC(=O)c1cc(-c2cccc(Cl)c2)ccn1
InChIInChI=1S/C15H13ClN2O2/c1-10(19)9-18-15(20)14-8-12(5-6-17-14)11-3-2-4-13(16)7-11/h2-8,19H,1,9H2,(H,18,20)
InChIKeySXNQPSAWEJKNTD-UHFFFAOYSA-N
XLogP3.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide (CID 89301361) is 4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide is C=C(O)CNC(=O)c1cc(-c2cccc(Cl)c2)ccn1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide?
The InChIKey is SXNQPSAWEJKNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10(19)9-18-15(20)14-8-12(5-6-17-14)11-3-2-4-13(16)7-11/h2-8,19H,1,9H2,(H,18,20).
What are the key properties of 4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide?
4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide has a molecular weight of 288.73 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide is sourced from PubChem (CID 89301361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).