5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide

C17H20ClN3O2 — CID 109227747

IUPAC5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-11-6-12(2)16(15(18)7-11)21-14-8-13(9-19-10-14)17(22)20-4-5-23-3/h6-10,21H,4-5H2,1-3H3,(H,20,22)
InChIKeyFBZBJOKHWKPFJB-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.47
Rot. Bonds6

About 5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide

5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109227747) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109227747
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-11-6-12(2)16(15(18)7-11)21-14-8-13(9-19-10-14)17(22)20-4-5-23-3/h6-10,21H,4-5H2,1-3H3,(H,20,22)
InChIKeyFBZBJOKHWKPFJB-UHFFFAOYSA-N
XLogP3.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224849
5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227724
5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234228
5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227744
5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109244991
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109223266
N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109244973
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227649
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102216
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109227747) is 5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1cncc(Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of 5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is FBZBJOKHWKPFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-6-12(2)16(15(18)7-11)21-14-8-13(9-19-10-14)17(22)20-4-5-23-3/h6-10,21H,4-5H2,1-3H3,(H,20,22).
What are the key properties of 5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109227747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).