6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide

C14H13ClN2O2 — CID 47298789

IUPAC6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H13ClN2O2/c1-17(9-10-3-2-4-12(18)7-10)14(19)11-5-6-13(15)16-8-11/h2-8,18H,9H2,1H3
InChIKeyJDJLVGOHQMYNJL-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.71
Rot. Bonds3

About 6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide

6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 47298789) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID47298789
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H13ClN2O2/c1-17(9-10-3-2-4-12(18)7-10)14(19)11-5-6-13(15)16-8-11/h2-8,18H,9H2,1H3
InChIKeyJDJLVGOHQMYNJL-UHFFFAOYSA-N
XLogP2.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464110
2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 56805111
methyl 4-[[(6-chloropyridine-3-carbonyl)-methylamino]methyl]benzoate
CID 37417334
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 41433756
6-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004101
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168
6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 9417730
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
CID 70751420
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide (CID 47298789) is 6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is JDJLVGOHQMYNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-17(9-10-3-2-4-12(18)7-10)14(19)11-5-6-13(15)16-8-11/h2-8,18H,9H2,1H3.
What are the key properties of 6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 47298789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).