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

C16H18FN3O2 — CID 68660789

IUPAC2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide
SMILESCC(Nc1ncc(-c2cccc(F)c2)cc1O)C(=O)N(C)C
InChIInChI=1S/C16H18FN3O2/c1-10(16(22)20(2)3)19-15-14(21)8-12(9-18-15)11-5-4-6-13(17)7-11/h4-10,21H,1-3H3,(H,18,19)
InChIKeyLBGCGSQIVWXARD-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.48
Rot. Bonds4

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

2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide (PubChem CID 68660789) 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,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide
PubChem CID68660789
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide
SMILESCC(Nc1ncc(-c2cccc(F)c2)cc1O)C(=O)N(C)C
InChIInChI=1S/C16H18FN3O2/c1-10(16(22)20(2)3)19-15-14(21)8-12(9-18-15)11-5-4-6-13(17)7-11/h4-10,21H,1-3H3,(H,18,19)
InChIKeyLBGCGSQIVWXARD-UHFFFAOYSA-N
XLogP2.48
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[4-(5-Hydroxy-2-pyridinyl)piperazin-1-yl]-3-methyl-3-phenylbutan-1-one
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3-(4-Fluorophenyl)-1-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]propan-1-one
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US10807989, Example SC_1111
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US10807989, Example SC_1151
CID 130200890
6-[Ethyl(1-phenylpropyl)amino]pyridin-3-ol
CID 44395802
US20240180886, Example 24
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(2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide
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CID 10160316

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide (CID 68660789) is 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide is CC(Nc1ncc(-c2cccc(F)c2)cc1O)C(=O)N(C)C.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide?
The InChIKey is LBGCGSQIVWXARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10(16(22)20(2)3)19-15-14(21)8-12(9-18-15)11-5-4-6-13(17)7-11/h4-10,21H,1-3H3,(H,18,19).
What are the key properties of 2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide?
2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]-N,N-dimethylpropanamide has a molecular weight of 303.34 g/mol, XLogP of 2.48, 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-dimethylpropanamide is sourced from PubChem (CID 68660789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).