2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide

C17H17ClN2O3 — CID 167830716

IUPAC2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide
SMILESCOc1ccc(C2CC(NC(=O)c3cc(Cl)ncc3O)C2)cc1
InChIInChI=1S/C17H17ClN2O3/c1-23-13-4-2-10(3-5-13)11-6-12(7-11)20-17(22)14-8-16(18)19-9-15(14)21/h2-5,8-9,11-12,21H,6-7H2,1H3,(H,20,22)
InChIKeyYISKQASWXSWYEM-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.13
Rot. Bonds4

About 2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide

2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide (PubChem CID 167830716) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide
PubChem CID167830716
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide
SMILESCOc1ccc(C2CC(NC(=O)c3cc(Cl)ncc3O)C2)cc1
InChIInChI=1S/C17H17ClN2O3/c1-23-13-4-2-10(3-5-13)11-6-12(7-11)20-17(22)14-8-16(18)19-9-15(14)21/h2-5,8-9,11-12,21H,6-7H2,1H3,(H,20,22)
InChIKeyYISKQASWXSWYEM-UHFFFAOYSA-N
XLogP3.13
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide (CID 167830716) is 2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide is COc1ccc(C2CC(NC(=O)c3cc(Cl)ncc3O)C2)cc1.
What is the InChIKey of 2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide?
The InChIKey is YISKQASWXSWYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-23-13-4-2-10(3-5-13)11-6-12(7-11)20-17(22)14-8-16(18)19-9-15(14)21/h2-5,8-9,11-12,21H,6-7H2,1H3,(H,20,22).
What are the key properties of 2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide?
2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide is sourced from PubChem (CID 167830716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).