N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide

C21H28FN3O — CID 24989313

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCCN(CC)c1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1
InChIInChI=1S/C21H28FN3O/c1-6-24(7-2)19-13-8-16(14-23-19)15-25(20(26)21(3,4)5)18-11-9-17(22)10-12-18/h8-14H,6-7,15H2,1-5H3
InChIKeyJVQQWMLJDWFPMA-UHFFFAOYSA-N
MW357.47 g/mol
LogP4.65
Rot. Bonds6

About N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide

N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide (PubChem CID 24989313) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
PubChem CID24989313
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCCN(CC)c1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1
InChIInChI=1S/C21H28FN3O/c1-6-24(7-2)19-13-8-16(14-23-19)15-25(20(26)21(3,4)5)18-11-9-17(22)10-12-18/h8-14H,6-7,15H2,1-5H3
InChIKeyJVQQWMLJDWFPMA-UHFFFAOYSA-N
XLogP4.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide (CID 24989313) is N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide is CCN(CC)c1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide?
The InChIKey is JVQQWMLJDWFPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c1-6-24(7-2)19-13-8-16(14-23-19)15-25(20(26)21(3,4)5)18-11-9-17(22)10-12-18/h8-14H,6-7,15H2,1-5H3.
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide?
N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide has a molecular weight of 357.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 24989313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).