3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide

C20H24ClFN4O2 — CID 134338971

IUPAC3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Cl)cc(CC(C)(C)C(=O)Nc2cc(F)ccn2)n1
InChIInChI=1S/C20H24ClFN4O2/c1-19(2,3)17(27)26-16-9-12(21)8-14(24-16)11-20(4,5)18(28)25-15-10-13(22)6-7-23-15/h6-10H,11H2,1-5H3,(H,23,25,28)(H,24,26,27)
InChIKeyJDAMYLXBZQGVEH-UHFFFAOYSA-N
MW406.89 g/mol
LogP4.46
Rot. Bonds5

About 3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide

3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 134338971) has the molecular formula C20H24ClFN4O2 and a molecular weight of 406.89 g/mol. Its IUPAC name is 3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide
PubChem CID134338971
Molecular FormulaC20H24ClFN4O2
Molecular Weight406.89 g/mol
Exact Mass406.16
IUPAC Name3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Cl)cc(CC(C)(C)C(=O)Nc2cc(F)ccn2)n1
InChIInChI=1S/C20H24ClFN4O2/c1-19(2,3)17(27)26-16-9-12(21)8-14(24-16)11-20(4,5)18(28)25-15-10-13(22)6-7-23-15/h6-10H,11H2,1-5H3,(H,23,25,28)(H,24,26,27)
InChIKeyJDAMYLXBZQGVEH-UHFFFAOYSA-N
XLogP4.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide (CID 134338971) is 3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(Cl)cc(CC(C)(C)C(=O)Nc2cc(F)ccn2)n1.
What is the InChIKey of 3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is JDAMYLXBZQGVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O2/c1-19(2,3)17(27)26-16-9-12(21)8-14(24-16)11-20(4,5)18(28)25-15-10-13(22)6-7-23-15/h6-10H,11H2,1-5H3,(H,23,25,28)(H,24,26,27).
What are the key properties of 3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide?
3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 406.89 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 134338971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).