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

C17H20FN3O — CID 113009609

IUPAC2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
SMILESCC(C)CNc1ccc(NC(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C17H20FN3O/c1-12(2)10-19-16-8-7-15(11-20-16)21-17(22)9-13-3-5-14(18)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyBRYZCHQKZUCYTP-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.47
Rot. Bonds6

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

2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide (PubChem CID 113009609) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
PubChem CID113009609
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
SMILESCC(C)CNc1ccc(NC(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C17H20FN3O/c1-12(2)10-19-16-8-7-15(11-20-16)21-17(22)9-13-3-5-14(18)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyBRYZCHQKZUCYTP-UHFFFAOYSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009635
2-(2-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009631
N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113014791
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022490
2-(4-fluorophenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010349
2-(4-fluorophenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023449
4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide
CID 39179065
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113010072
N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113019688
2-(2-methoxyphenoxy)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009626
2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide
CID 113009090
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide (CID 113009609) is 2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide is CC(C)CNc1ccc(NC(=O)Cc2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide?
The InChIKey is BRYZCHQKZUCYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12(2)10-19-16-8-7-15(11-20-16)21-17(22)9-13-3-5-14(18)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide?
2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide has a molecular weight of 301.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113009609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).