N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide

C17H20FN3O — CID 113014791

IUPACN-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESCC(C)(C)Nc1ccc(NC(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C17H20FN3O/c1-17(2,3)21-15-9-8-14(11-19-15)20-16(22)10-12-4-6-13(18)7-5-12/h4-9,11H,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyXYQIDIHXTYZMTN-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.61
Rot. Bonds4

About N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide

N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113014791) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
PubChem CID113014791
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESCC(C)(C)Nc1ccc(NC(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C17H20FN3O/c1-17(2,3)21-15-9-8-14(11-19-15)20-16(22)10-12-4-6-13(18)7-5-12/h4-9,11H,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyXYQIDIHXTYZMTN-UHFFFAOYSA-N
XLogP3.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009609
2-(4-fluorophenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023449
2-(4-fluorophenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010349
N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014815
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113010072
N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113019688
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113032265
N-(5-amino-2-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 43144626
2-(4-fluorophenyl)-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027342
N-[6-(tert-butylamino)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113014809

Frequently Asked Questions

What is the IUPAC name of N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide (CID 113014791) is N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide is CC(C)(C)Nc1ccc(NC(=O)Cc2ccc(F)cc2)cn1.
What is the InChIKey of N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is XYQIDIHXTYZMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-17(2,3)21-15-9-8-14(11-19-15)20-16(22)10-12-4-6-13(18)7-5-12/h4-9,11H,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 301.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113014791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).