2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide

C15H15ClN2O2 — CID 107856629

IUPAC2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccccc2O)cc(Cl)n1
InChIInChI=1S/C15H15ClN2O2/c1-9(2)12-7-10(8-14(16)17-12)15(20)18-11-5-3-4-6-13(11)19/h3-9,19H,1-2H3,(H,18,20)
InChIKeyMNDHQTNWJTVBQB-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.82
Rot. Bonds3

About 2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide

2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 107856629) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide
PubChem CID107856629
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccccc2O)cc(Cl)n1
InChIInChI=1S/C15H15ClN2O2/c1-9(2)12-7-10(8-14(16)17-12)15(20)18-11-5-3-4-6-13(11)19/h3-9,19H,1-2H3,(H,18,20)
InChIKeyMNDHQTNWJTVBQB-UHFFFAOYSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide (CID 107856629) is 2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide is CC(C)c1cc(C(=O)Nc2ccccc2O)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is MNDHQTNWJTVBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9(2)12-7-10(8-14(16)17-12)15(20)18-11-5-3-4-6-13(11)19/h3-9,19H,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 107856629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).