N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide

C14H13ClN2O3 — CID 103746246

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc(Cl)c(C)c2)c(O)c1
InChIInChI=1S/C14H13ClN2O3/c1-8-5-9(7-16-13(8)15)17-14(19)11-4-3-10(20-2)6-12(11)18/h3-7,18H,1-2H3,(H,17,19)
InChIKeyWLMINPRXGLPTTE-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.01
Rot. Bonds3

About N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide

N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide (PubChem CID 103746246) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide
PubChem CID103746246
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc(Cl)c(C)c2)c(O)c1
InChIInChI=1S/C14H13ClN2O3/c1-8-5-9(7-16-13(8)15)17-14(19)11-4-3-10(20-2)6-12(11)18/h3-7,18H,1-2H3,(H,17,19)
InChIKeyWLMINPRXGLPTTE-UHFFFAOYSA-N
XLogP3.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.01
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 N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide (CID 103746246) is N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2cnc(Cl)c(C)c2)c(O)c1.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is WLMINPRXGLPTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-8-5-9(7-16-13(8)15)17-14(19)11-4-3-10(20-2)6-12(11)18/h3-7,18H,1-2H3,(H,17,19).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide has a molecular weight of 292.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 103746246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).