N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide

C13H12N2O2 — CID 753639

IUPACN-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2)c(O)c1
InChIInChI=1S/C13H12N2O2/c1-9-4-5-11(12(16)7-9)15-13(17)10-3-2-6-14-8-10/h2-8,16H,1H3,(H,15,17)
InChIKeyQKAWFROVGVPWOD-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.35
Rot. Bonds2

About N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide

N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide (PubChem CID 753639) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide
PubChem CID753639
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2)c(O)c1
InChIInChI=1S/C13H12N2O2/c1-9-4-5-11(12(16)7-9)15-13(17)10-3-2-6-14-8-10/h2-8,16H,1H3,(H,15,17)
InChIKeyQKAWFROVGVPWOD-UHFFFAOYSA-N
XLogP2.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide (CID 753639) is N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is QKAWFROVGVPWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-4-5-11(12(16)7-9)15-13(17)10-3-2-6-14-8-10/h2-8,16H,1H3,(H,15,17).
What are the key properties of N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide?
N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 753639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).