N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide

C19H21FN2O3 — CID 136568049

IUPACN-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide
SMILESO=C(CC1CCCOC1)Nc1ccc(=O)n(Cc2cccc(F)c2)c1
InChIInChI=1S/C19H21FN2O3/c20-16-5-1-3-14(9-16)11-22-12-17(6-7-19(22)24)21-18(23)10-15-4-2-8-25-13-15/h1,3,5-7,9,12,15H,2,4,8,10-11,13H2,(H,21,23)
InChIKeyJSRMCIOUCRALET-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.79
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide

N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide (PubChem CID 136568049) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide
PubChem CID136568049
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide
SMILESO=C(CC1CCCOC1)Nc1ccc(=O)n(Cc2cccc(F)c2)c1
InChIInChI=1S/C19H21FN2O3/c20-16-5-1-3-14(9-16)11-22-12-17(6-7-19(22)24)21-18(23)10-15-4-2-8-25-13-15/h1,3,5-7,9,12,15H,2,4,8,10-11,13H2,(H,21,23)
InChIKeyJSRMCIOUCRALET-UHFFFAOYSA-N
XLogP2.79
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
CID 110862725
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63014359
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide
CID 138049586
1-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671064
3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92568609
2-cyclopentyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 47341844
2-(3-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327223
1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170598
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide (CID 136568049) is N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide is O=C(CC1CCCOC1)Nc1ccc(=O)n(Cc2cccc(F)c2)c1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide?
The InChIKey is JSRMCIOUCRALET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-16-5-1-3-14(9-16)11-22-12-17(6-7-19(22)24)21-18(23)10-15-4-2-8-25-13-15/h1,3,5-7,9,12,15H,2,4,8,10-11,13H2,(H,21,23).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide?
N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 136568049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).