6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide

C16H18BrN3O2 — CID 109153082

IUPAC6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(C)cc2Br)nc1
InChIInChI=1S/C16H18BrN3O2/c1-11-3-5-14(13(17)9-11)20-15-6-4-12(10-19-15)16(21)18-7-8-22-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCJEXYAGSCSQZAJ-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.27
Rot. Bonds6

About 6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide

6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109153082) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109153082
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(C)cc2Br)nc1
InChIInChI=1S/C16H18BrN3O2/c1-11-3-5-14(13(17)9-11)20-15-6-4-12(10-19-15)16(21)18-7-8-22-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCJEXYAGSCSQZAJ-UHFFFAOYSA-N
XLogP3.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.27
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-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276172
2-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299940
2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246631
6-(2-methoxy-5-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158318
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153070
5-(2-bromo-4-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272501
6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154506
6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153085
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide
CID 109161449
6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160854

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109153082) is 6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(Nc2ccc(C)cc2Br)nc1.
What is the InChIKey of 6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is CJEXYAGSCSQZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-11-3-5-14(13(17)9-11)20-15-6-4-12(10-19-15)16(21)18-7-8-22-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109153082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).