N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide

C11H15FN2O2 — CID 148558430

IUPACN-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(F)cncc1C(C)C
InChIInChI=1S/C11H15FN2O2/c1-7(2)8-4-13-5-9(12)11(8)14-10(15)6-16-3/h4-5,7H,6H2,1-3H3,(H,13,14,15)
InChIKeyMUNDEDDQPVDABW-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.93
Rot. Bonds4

About N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide

N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide (PubChem CID 148558430) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide
PubChem CID148558430
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(F)cncc1C(C)C
InChIInChI=1S/C11H15FN2O2/c1-7(2)8-4-13-5-9(12)11(8)14-10(15)6-16-3/h4-5,7H,6H2,1-3H3,(H,13,14,15)
InChIKeyMUNDEDDQPVDABW-UHFFFAOYSA-N
XLogP1.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide?
The IUPAC name of N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide (CID 148558430) is N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide?
The canonical SMILES for N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide is COCC(=O)Nc1c(F)cncc1C(C)C.
What is the InChIKey of N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide?
The InChIKey is MUNDEDDQPVDABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(2)8-4-13-5-9(12)11(8)14-10(15)6-16-3/h4-5,7H,6H2,1-3H3,(H,13,14,15).
What are the key properties of N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide?
N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide has a molecular weight of 226.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide is sourced from PubChem (CID 148558430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).