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

C16H18FN3O2 — CID 68660631

IUPAC2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)Nc1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C16H18FN3O2/c1-16(2,15(22)18-3)20-14-13(21)8-11(9-19-14)10-5-4-6-12(17)7-10/h4-9,21H,1-3H3,(H,18,22)(H,19,20)
InChIKeyGYXXNHIXNHUPHB-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.53
Rot. Bonds4

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

2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide (PubChem CID 68660631) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide
PubChem CID68660631
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)Nc1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C16H18FN3O2/c1-16(2,15(22)18-3)20-14-13(21)8-11(9-19-14)10-5-4-6-12(17)7-10/h4-9,21H,1-3H3,(H,18,22)(H,19,20)
InChIKeyGYXXNHIXNHUPHB-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

Analyze 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 135126582
CID 135126582
CID 156273938
CID 156273938
CID 156273977
CID 156273977
CID 130200713
CID 130200713
CID 130200890
CID 130200890
CID 135137576
CID 135137576
CID 171565004
CID 171565004
CID 171565033
CID 171565033
CID 125142273
CID 125142273
CID 10246836
CID 10246836
CID 68251760
CID 68251760
CID 68660780
CID 68660780

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide?
The IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide (CID 68660631) is 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide is CNC(=O)C(C)(C)Nc1ncc(-c2cccc(F)c2)cc1O.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide?
The InChIKey is GYXXNHIXNHUPHB-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)10-5-4-6-12(17)7-10/h4-9,21H,1-3H3,(H,18,22)(H,19,20).
What are the key properties of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide?
2-[[5-(3-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-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,2-dimethylpropanamide is sourced from PubChem (CID 68660631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).