(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide

C11H15BrFN3O — CID 124678709

IUPAC(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)CN(C)c1ncc(Br)cc1F
InChIInChI=1S/C11H15BrFN3O/c1-7(11(17)14-2)6-16(3)10-9(13)4-8(12)5-15-10/h4-5,7H,6H2,1-3H3,(H,14,17)/t7-/m0/s1
InChIKeyHGNPPVIZUOXQCY-ZETCQYMHSA-N
MW304.16 g/mol
LogP1.80
Rot. Bonds4

About (2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide

(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 124678709) has the molecular formula C11H15BrFN3O and a molecular weight of 304.16 g/mol. Its IUPAC name is (2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
PubChem CID124678709
Molecular FormulaC11H15BrFN3O
Molecular Weight304.16 g/mol
Exact Mass303.04
IUPAC Name(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)CN(C)c1ncc(Br)cc1F
InChIInChI=1S/C11H15BrFN3O/c1-7(11(17)14-2)6-16(3)10-9(13)4-8(12)5-15-10/h4-5,7H,6H2,1-3H3,(H,14,17)/t7-/m0/s1
InChIKeyHGNPPVIZUOXQCY-ZETCQYMHSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide (CID 124678709) is (2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)[C@@H](C)CN(C)c1ncc(Br)cc1F.
What is the InChIKey of (2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is HGNPPVIZUOXQCY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15BrFN3O/c1-7(11(17)14-2)6-16(3)10-9(13)4-8(12)5-15-10/h4-5,7H,6H2,1-3H3,(H,14,17)/t7-/m0/s1.
What are the key properties of (2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 304.16 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 124678709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).