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

C21H18N4O — CID 113022692

IUPACN-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccccc3C#N)nc2)c1
InChIInChI=1S/C21H18N4O/c1-15-5-4-6-16(11-15)12-21(26)24-18-9-10-20(23-14-18)25-19-8-3-2-7-17(19)13-22/h2-11,14H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyZLJABVGYAXFTRB-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.19
Rot. Bonds5

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

N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide (PubChem CID 113022692) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
PubChem CID113022692
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccccc3C#N)nc2)c1
InChIInChI=1S/C21H18N4O/c1-15-5-4-6-16(11-15)12-21(26)24-18-9-10-20(23-14-18)25-19-8-3-2-7-17(19)13-22/h2-11,14H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyZLJABVGYAXFTRB-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-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113022689
2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide
CID 113021762
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018155
N-[6-(4-methoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113019533
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876
2-(3-fluorophenyl)-N-[6-(2-methylanilino)-3-pyridinyl]acetamide
CID 113016132
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide
CID 113037072
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113017296

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide (CID 113022692) is N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(Nc3ccccc3C#N)nc2)c1.
What is the InChIKey of N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The InChIKey is ZLJABVGYAXFTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-5-4-6-16(11-15)12-21(26)24-18-9-10-20(23-14-18)25-19-8-3-2-7-17(19)13-22/h2-11,14H,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide?
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-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-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113022692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).