N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide

C21H20FN3O — CID 113017196

IUPACN-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)Cc2ccccc2F)cn1
InChIInChI=1S/C21H20FN3O/c1-14-6-5-7-15(2)21(14)25-19-11-10-17(13-23-19)24-20(26)12-16-8-3-4-9-18(16)22/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIBORTLXPFSPKCA-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.76
Rot. Bonds5

About N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide

N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113017196) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
PubChem CID113017196
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)Cc2ccccc2F)cn1
InChIInChI=1S/C21H20FN3O/c1-14-6-5-7-15(2)21(14)25-19-11-10-17(13-23-19)24-20(26)12-16-8-3-4-9-18(16)22/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIBORTLXPFSPKCA-UHFFFAOYSA-N
XLogP4.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017295
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113046519
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023246
2-(2-fluorophenyl)-N-(6-methyl-3-pyridinyl)acetamide
CID 112532440
2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023074
2-(2-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009631
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113032265
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113022689
2-(2-fluorophenyl)-N-[6-(3-methylbutylamino)-3-pyridinyl]acetamide
CID 113015117
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033580
1-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113017689

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide (CID 113017196) is N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide is Cc1cccc(C)c1Nc1ccc(NC(=O)Cc2ccccc2F)cn1.
What is the InChIKey of N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is IBORTLXPFSPKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14-6-5-7-15(2)21(14)25-19-11-10-17(13-23-19)24-20(26)12-16-8-3-4-9-18(16)22/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide?
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113017196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).