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

C21H20FN3O — CID 113017295

IUPACN-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
SMILESCc1cccc(Nc2ccc(NC(=O)Cc3ccccc3F)cn2)c1C
InChIInChI=1S/C21H20FN3O/c1-14-6-5-9-19(15(14)2)25-20-11-10-17(13-23-20)24-21(26)12-16-7-3-4-8-18(16)22/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDQTSMZARJFNTEC-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.76
Rot. Bonds5

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

N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113017295) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
PubChem CID113017295
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
SMILESCc1cccc(Nc2ccc(NC(=O)Cc3ccccc3F)cn2)c1C
InChIInChI=1S/C21H20FN3O/c1-14-6-5-9-19(15(14)2)25-20-11-10-17(13-23-20)24-21(26)12-16-7-3-4-8-18(16)22/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDQTSMZARJFNTEC-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-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017196
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113017296
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023074
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113017273
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113022689
N-[6-(2,3-dimethylanilino)-3-pyridinyl]pentanamide
CID 113017248
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018239
2-(3-fluorophenyl)-N-[6-(2-methylanilino)-3-pyridinyl]acetamide
CID 113016132
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023246
2-(2-fluorophenyl)-N-(6-methyl-3-pyridinyl)acetamide
CID 112532440
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113017290

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide (CID 113017295) is N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide is Cc1cccc(Nc2ccc(NC(=O)Cc3ccccc3F)cn2)c1C.
What is the InChIKey of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is DQTSMZARJFNTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14-6-5-9-19(15(14)2)25-20-11-10-17(13-23-20)24-21(26)12-16-7-3-4-8-18(16)22/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide?
N-[6-(2,3-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-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113017295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).