2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide

C17H20FN3O2 — CID 68660827

IUPAC2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)Nc1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C17H20FN3O2/c1-17(2,16(23)21(3)4)20-15-14(22)9-12(10-19-15)11-6-5-7-13(18)8-11/h5-10,22H,1-4H3,(H,19,20)
InChIKeyGRKUCTMXCOXBSZ-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.87
Rot. Bonds4

About 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide

2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide (PubChem CID 68660827) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide
PubChem CID68660827
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)Nc1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C17H20FN3O2/c1-17(2,16(23)21(3)4)20-15-14(22)9-12(10-19-15)11-6-5-7-13(18)8-11/h5-10,22H,1-4H3,(H,19,20)
InChIKeyGRKUCTMXCOXBSZ-UHFFFAOYSA-N
XLogP2.87
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide (CID 68660827) is 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)Nc1ncc(-c2cccc(F)c2)cc1O.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide?
The InChIKey is GRKUCTMXCOXBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-17(2,16(23)21(3)4)20-15-14(22)9-12(10-19-15)11-6-5-7-13(18)8-11/h5-10,22H,1-4H3,(H,19,20).
What are the key properties of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide?
2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide has a molecular weight of 317.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 68660827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).