N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide

C21H20FN3O — CID 113032265

IUPACN-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)Cc2ccc(F)cc2)nc1
InChIInChI=1S/C21H20FN3O/c1-14-4-3-5-15(2)21(14)24-18-10-11-19(23-13-18)25-20(26)12-16-6-8-17(22)9-7-16/h3-11,13,24H,12H2,1-2H3,(H,23,25,26)
InChIKeySFTOJXUFGBPLOO-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.76
Rot. Bonds5

About N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide

N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113032265) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
PubChem CID113032265
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)Cc2ccc(F)cc2)nc1
InChIInChI=1S/C21H20FN3O/c1-14-4-3-5-15(2)21(14)24-18-10-11-19(23-13-18)25-20(26)12-16-6-8-17(22)9-7-16/h3-11,13,24H,12H2,1-2H3,(H,23,25,26)
InChIKeySFTOJXUFGBPLOO-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-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
2-(4-fluorophenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023449
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017196
methyl 3-[[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]amino]benzoate
CID 113035333
2-(4-fluorophenyl)-N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034872
N-[5-(4-ethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032512
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-2-methylpropanamide
CID 113032651
2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide
CID 113031460
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-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113035220

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide (CID 113032265) is N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide is Cc1cccc(C)c1Nc1ccc(NC(=O)Cc2ccc(F)cc2)nc1.
What is the InChIKey of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SFTOJXUFGBPLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14-4-3-5-15(2)21(14)24-18-10-11-19(23-13-18)25-20(26)12-16-6-8-17(22)9-7-16/h3-11,13,24H,12H2,1-2H3,(H,23,25,26).
What are the key properties of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-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-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113032265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).