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

C14H14FN3O2 — CID 68660861

IUPAC2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C14H14FN3O2/c1-16-13(20)8-18-14-12(19)6-10(7-17-14)9-3-2-4-11(15)5-9/h2-7,19H,8H2,1H3,(H,16,20)(H,17,18)
InChIKeyAWTBCWJZCPHIGF-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.75
Rot. Bonds4

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

2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylacetamide (PubChem CID 68660861) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylacetamide
PubChem CID68660861
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C14H14FN3O2/c1-16-13(20)8-18-14-12(19)6-10(7-17-14)9-3-2-4-11(15)5-9/h2-7,19H,8H2,1H3,(H,16,20)(H,17,18)
InChIKeyAWTBCWJZCPHIGF-UHFFFAOYSA-N
XLogP1.75
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.75
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-methylacetamide?
The IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylacetamide (CID 68660861) is 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylacetamide is CNC(=O)CNc1ncc(-c2cccc(F)c2)cc1O.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylacetamide?
The InChIKey is AWTBCWJZCPHIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-16-13(20)8-18-14-12(19)6-10(7-17-14)9-3-2-4-11(15)5-9/h2-7,19H,8H2,1H3,(H,16,20)(H,17,18).
What are the key properties of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylacetamide?
2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N-methylacetamide has a molecular weight of 275.28 g/mol, XLogP of 1.75, 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-methylacetamide is sourced from PubChem (CID 68660861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).