N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide

C21H21N3O — CID 113016876

IUPACN-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
SMILESCc1ccc(C)c(Nc2ccc(NC(=O)Cc3ccccc3)cn2)c1
InChIInChI=1S/C21H21N3O/c1-15-8-9-16(2)19(12-15)24-20-11-10-18(14-22-20)23-21(25)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXTIHDBMQBSALGQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.62
Rot. Bonds5

About N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide

N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide (PubChem CID 113016876) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
PubChem CID113016876
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
SMILESCc1ccc(C)c(Nc2ccc(NC(=O)Cc3ccccc3)cn2)c1
InChIInChI=1S/C21H21N3O/c1-15-8-9-16(2)19(12-15)24-20-11-10-18(14-22-20)23-21(25)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXTIHDBMQBSALGQ-UHFFFAOYSA-N
XLogP4.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016782
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032051
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018239
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113019049
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
2-(3-fluorophenyl)-N-[6-(2-methylanilino)-3-pyridinyl]acetamide
CID 113016132
N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016114
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022692
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113032043
2-(3,4-dimethoxyphenyl)-N-[5-(2,5-dimethylanilino)-2-pyridinyl]acetamide
CID 113032044
N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113020511

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide (CID 113016876) is N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide is Cc1ccc(C)c(Nc2ccc(NC(=O)Cc3ccccc3)cn2)c1.
What is the InChIKey of N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide?
The InChIKey is XTIHDBMQBSALGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-8-9-16(2)19(12-15)24-20-11-10-18(14-22-20)23-21(25)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide?
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide has a molecular weight of 331.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 113016876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).