5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide

C19H22N4O3 — CID 109102049

IUPAC5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C19H22N4O3/c1-3-4-8-21-18(25)14-9-15(12-20-11-14)19(26)23-17-7-5-6-16(10-17)22-13(2)24/h5-7,9-12H,3-4,8H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyASJLEXMIMKGKGK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.82
Rot. Bonds7

About 5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide

5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide (PubChem CID 109102049) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
PubChem CID109102049
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C19H22N4O3/c1-3-4-8-21-18(25)14-9-15(12-20-11-14)19(26)23-17-7-5-6-16(10-17)22-13(2)24/h5-7,9-12H,3-4,8H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyASJLEXMIMKGKGK-UHFFFAOYSA-N
XLogP2.82
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[5-(butylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102052
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102031
1-N-butyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051224
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007
3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101470
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227768
N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide
CID 109224520
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide (CID 109102049) is 5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide is CCCCNC(=O)c1cncc(C(=O)Nc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of 5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide?
The InChIKey is ASJLEXMIMKGKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-4-8-21-18(25)14-9-15(12-20-11-14)19(26)23-17-7-5-6-16(10-17)22-13(2)24/h5-7,9-12H,3-4,8H2,1-2H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of 5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide?
5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).