5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide

C17H20N4O3 — CID 109227768

IUPAC5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C17H20N4O3/c1-12(22)20-14-4-3-5-15(9-14)21-16-8-13(10-18-11-16)17(23)19-6-7-24-2/h3-5,8-11,21H,6-7H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyGUHRVLZEIPQFIW-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.16
Rot. Bonds7

About 5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide

5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109227768) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109227768
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C17H20N4O3/c1-12(22)20-14-4-3-5-15(9-14)21-16-8-13(10-18-11-16)17(23)19-6-7-24-2/h3-5,8-11,21H,6-7H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyGUHRVLZEIPQFIW-UHFFFAOYSA-N
XLogP2.16
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227724
methyl 3-[[5-(3-methoxypropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109228138
5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232047
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109244893
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102049
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797
ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109227795

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109227768) is 5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1cncc(Nc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of 5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is GUHRVLZEIPQFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12(22)20-14-4-3-5-15(9-14)21-16-8-13(10-18-11-16)17(23)19-6-7-24-2/h3-5,8-11,21H,6-7H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109227768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).