N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide

C21H18N4O — CID 113022901

IUPACN-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Nc3ccc(C#N)cc3)nc2)cc1
InChIInChI=1S/C21H18N4O/c1-15-2-4-16(5-3-15)12-21(26)25-19-10-11-20(23-14-19)24-18-8-6-17(13-22)7-9-18/h2-11,14H,12H2,1H3,(H,23,24)(H,25,26)
InChIKeyADHBWHCGSNZMAM-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.19
Rot. Bonds5

About N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide

N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide (PubChem CID 113022901) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
PubChem CID113022901
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Nc3ccc(C#N)cc3)nc2)cc1
InChIInChI=1S/C21H18N4O/c1-15-2-4-16(5-3-15)12-21(26)25-19-10-11-20(23-14-19)24-18-8-6-17(13-22)7-9-18/h2-11,14H,12H2,1H3,(H,23,24)(H,25,26)
InChIKeyADHBWHCGSNZMAM-UHFFFAOYSA-N
XLogP4.19
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113020511
N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018544
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018239
2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide
CID 113009090
2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009635
N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113019688
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779
N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide
CID 110178545
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide
CID 113022865
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide (CID 113022901) is N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(Nc3ccc(C#N)cc3)nc2)cc1.
What is the InChIKey of N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The InChIKey is ADHBWHCGSNZMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-2-4-16(5-3-15)12-21(26)25-19-10-11-20(23-14-19)24-18-8-6-17(13-22)7-9-18/h2-11,14H,12H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113022901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).