N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide

C20H21FN2O5 — CID 22949497

IUPACN-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1C=C(c2ccc(C3=CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21FN2O5/c1-12(25)22-10-15-9-17(20(27)28-15)14-2-3-16(18(21)8-14)13-4-6-23(7-5-13)19(26)11-24/h2-4,8-9,15,24H,5-7,10-11H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyACGAKCJHPYOFBM-OAHLLOKOSA-N
MW388.40 g/mol
LogP0.88
Rot. Bonds5

About N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide

N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide (PubChem CID 22949497) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
PubChem CID22949497
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC NameN-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1C=C(c2ccc(C3=CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21FN2O5/c1-12(25)22-10-15-9-17(20(27)28-15)14-2-3-16(18(21)8-14)13-4-6-23(7-5-13)19(26)11-24/h2-4,8-9,15,24H,5-7,10-11H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyACGAKCJHPYOFBM-OAHLLOKOSA-N
XLogP0.88
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(2R)-4-(3-fluoro-4-piperazin-1-ylphenyl)-5-oxo-2H-furan-2-yl]methyl]acetamide
CID 139816096
N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
CID 67652353
N-[[(2R)-4-[4-[4-(cyanomethyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
CID 139816106
[2-[4-[4-[(2R)-2-(acetamidomethyl)-5-oxo-2H-furan-4-yl]phenyl]piperazin-1-yl]-2-oxoethyl] acetate
CID 67652560
methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate
CID 70117574
N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11236107
(3R,3aS)-7-fluoro-6-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide
CID 67970110
[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] butanoate
CID 57157683
N-[[(5S)-3-[3-fluoro-4-[1-(1-methylpyrrole-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 11248076
N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57154813
[2-[4-[4-[(2R)-2-(acetamidomethyl)-5-oxo-2H-furan-4-yl]phenyl]-1,2,3,6-tetrahydropyridin-6-yl]-2-oxoethyl] acetate
CID 67589401
[(3S,3aS)-7-fluoro-6-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl-methylcarbamic acid
CID 67969939

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide (CID 22949497) is N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1C=C(c2ccc(C3=CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide?
The InChIKey is ACGAKCJHPYOFBM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21FN2O5/c1-12(25)22-10-15-9-17(20(27)28-15)14-2-3-16(18(21)8-14)13-4-6-23(7-5-13)19(26)11-24/h2-4,8-9,15,24H,5-7,10-11H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide?
N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide has a molecular weight of 388.40 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide is sourced from PubChem (CID 22949497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).