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

C15H16FN3O2 — CID 68661006

IUPAC2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C15H16FN3O2/c1-9(15(21)17-2)19-14-13(20)7-11(8-18-14)10-4-3-5-12(16)6-10/h3-9,20H,1-2H3,(H,17,21)(H,18,19)
InChIKeyIHXVEUSJBRBFFG-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.14
Rot. Bonds4

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

2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylpropanamide (PubChem CID 68661006) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylpropanamide
PubChem CID68661006
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C15H16FN3O2/c1-9(15(21)17-2)19-14-13(20)7-11(8-18-14)10-4-3-5-12(16)6-10/h3-9,20H,1-2H3,(H,17,21)(H,18,19)
InChIKeyIHXVEUSJBRBFFG-UHFFFAOYSA-N
XLogP2.14
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.14
H-Bond Donors ≤ 53
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-methylpropanamide?
The IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylpropanamide (CID 68661006) is 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylpropanamide is CNC(=O)C(C)Nc1ncc(-c2cccc(F)c2)cc1O.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylpropanamide?
The InChIKey is IHXVEUSJBRBFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9(15(21)17-2)19-14-13(20)7-11(8-18-14)10-4-3-5-12(16)6-10/h3-9,20H,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylpropanamide?
2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylpropanamide has a molecular weight of 289.31 g/mol, XLogP of 2.14, 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-methylpropanamide is sourced from PubChem (CID 68661006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).