(2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide

C11H16FN3O — CID 164638601

IUPAC(2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)CN(C)c1ccncc1F
InChIInChI=1S/C11H16FN3O/c1-8(11(16)13-2)7-15(3)10-4-5-14-6-9(10)12/h4-6,8H,7H2,1-3H3,(H,13,16)/t8-/m0/s1
InChIKeyVYWWVHHZONYFHS-QMMMGPOBSA-N
MW225.27 g/mol
LogP1.04
Rot. Bonds4

About (2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide

(2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 164638601) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is (2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
PubChem CID164638601
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name(2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)CN(C)c1ccncc1F
InChIInChI=1S/C11H16FN3O/c1-8(11(16)13-2)7-15(3)10-4-5-14-6-9(10)12/h4-6,8H,7H2,1-3H3,(H,13,16)/t8-/m0/s1
InChIKeyVYWWVHHZONYFHS-QMMMGPOBSA-N
XLogP1.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide (CID 164638601) is (2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)[C@@H](C)CN(C)c1ccncc1F.
What is the InChIKey of (2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is VYWWVHHZONYFHS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8(11(16)13-2)7-15(3)10-4-5-14-6-9(10)12/h4-6,8H,7H2,1-3H3,(H,13,16)/t8-/m0/s1.
What are the key properties of (2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
(2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 225.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(3-fluoro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 164638601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).