2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide

C16H18FN3O2 — CID 71143216

IUPAC2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)Nc1ncc(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C16H18FN3O2/c1-16(2,15(22)18-3)20-14-13(21)8-11(9-19-14)10-4-6-12(17)7-5-10/h4-9,21H,1-3H3,(H,18,22)(H,19,20)
InChIKeyYDQGRPSQSZCCDD-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.53
Rot. Bonds4

About 2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide

2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide (PubChem CID 71143216) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide
PubChem CID71143216
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)Nc1ncc(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C16H18FN3O2/c1-16(2,15(22)18-3)20-14-13(21)8-11(9-19-14)10-4-6-12(17)7-5-10/h4-9,21H,1-3H3,(H,18,22)(H,19,20)
InChIKeyYDQGRPSQSZCCDD-UHFFFAOYSA-N
XLogP2.53
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide (CID 71143216) is 2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide is CNC(=O)C(C)(C)Nc1ncc(-c2ccc(F)cc2)cc1O.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide?
The InChIKey is YDQGRPSQSZCCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-16(2,15(22)18-3)20-14-13(21)8-11(9-19-14)10-4-6-12(17)7-5-10/h4-9,21H,1-3H3,(H,18,22)(H,19,20).
What are the key properties of 2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide?
2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide has a molecular weight of 303.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide is sourced from PubChem (CID 71143216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).