6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide

C20H23N3O3 — CID 109099391

IUPAC6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCC(C)C)n2)c1
InChIInChI=1S/C20H23N3O3/c1-13(2)10-11-21-19(25)17-8-5-9-18(23-17)20(26)22-16-7-4-6-15(12-16)14(3)24/h4-9,12-13H,10-11H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyPCWIEFFFNGOKAF-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.31
Rot. Bonds7

About 6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide

6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide (PubChem CID 109099391) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
PubChem CID109099391
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCC(C)C)n2)c1
InChIInChI=1S/C20H23N3O3/c1-13(2)10-11-21-19(25)17-8-5-9-18(23-17)20(26)22-16-7-4-6-15(12-16)14(3)24/h4-9,12-13H,10-11H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyPCWIEFFFNGOKAF-UHFFFAOYSA-N
XLogP3.31
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195666
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287829
N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333144
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109094522
6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856
6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099370
6-N-(3-acetamidophenyl)-2-N-propylpyridine-2,6-dicarboxamide
CID 109093563
6-N-(3-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097178
2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101017
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide (CID 109099391) is 6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCC(C)C)n2)c1.
What is the InChIKey of 6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
The InChIKey is PCWIEFFFNGOKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(2)10-11-21-19(25)17-8-5-9-18(23-17)20(26)22-16-7-4-6-15(12-16)14(3)24/h4-9,12-13H,10-11H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).