N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide

C23H25N3O — CID 110178545

IUPACN-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(CC(=O)Nc2ccc(Nc3ccccc3)nc2)cc1
InChIInChI=1S/C23H25N3O/c1-2-3-7-18-10-12-19(13-11-18)16-23(27)26-21-14-15-22(24-17-21)25-20-8-5-4-6-9-20/h4-6,8-15,17H,2-3,7,16H2,1H3,(H,24,25)(H,26,27)
InChIKeyCJYPRSIGJIREBM-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.35
Rot. Bonds8

About N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide

N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide (PubChem CID 110178545) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide
PubChem CID110178545
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(CC(=O)Nc2ccc(Nc3ccccc3)nc2)cc1
InChIInChI=1S/C23H25N3O/c1-2-3-7-18-10-12-19(13-11-18)16-23(27)26-21-14-15-22(24-17-21)25-20-8-5-4-6-9-20/h4-6,8-15,17H,2-3,7,16H2,1H3,(H,24,25)(H,26,27)
InChIKeyCJYPRSIGJIREBM-UHFFFAOYSA-N
XLogP5.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
6-(4-butylanilino)pyridine-3-carboxylic acid
CID 43378526
N-(6-anilino-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 113016055
N-(5-anilino-2-pyridinyl)pentanamide
CID 113031172
N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113019688
N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113020511
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide
CID 30940399
N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113020496
N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018544
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113022901

Frequently Asked Questions

What is the IUPAC name of N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide?
The IUPAC name of N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide (CID 110178545) is N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide.
What is the SMILES notation for N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide?
The canonical SMILES for N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide is CCCCc1ccc(CC(=O)Nc2ccc(Nc3ccccc3)nc2)cc1.
What is the InChIKey of N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide?
The InChIKey is CJYPRSIGJIREBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-3-7-18-10-12-19(13-11-18)16-23(27)26-21-14-15-22(24-17-21)25-20-8-5-4-6-9-20/h4-6,8-15,17H,2-3,7,16H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide?
N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide is sourced from PubChem (CID 110178545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).