N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide

C27H24FN5O5 — CID 118956806

IUPACN-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)c2cccnc2)C1=O
InChIInChI=1S/C27H24FN5O5/c1-29-25(36)31-20-8-9-22-18(13-20)10-11-27(22)24(35)33(26(37)38-27)16-23(34)32(21-3-2-12-30-14-21)15-17-4-6-19(28)7-5-17/h2-9,12-14H,10-11,15-16H2,1H3,(H2,29,31,36)/t27-/m1/s1
InChIKeyYWCSSFDUGPEJRX-HHHXNRCGSA-N
MW517.52 g/mol
LogP3.33
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide

N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide (PubChem CID 118956806) has the molecular formula C27H24FN5O5 and a molecular weight of 517.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide
PubChem CID118956806
Molecular FormulaC27H24FN5O5
Molecular Weight517.52 g/mol
Exact Mass517.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)c2cccnc2)C1=O
InChIInChI=1S/C27H24FN5O5/c1-29-25(36)31-20-8-9-22-18(13-20)10-11-27(22)24(35)33(26(37)38-27)16-23(34)32(21-3-2-12-30-14-21)15-17-4-6-19(28)7-5-17/h2-9,12-14H,10-11,15-16H2,1H3,(H2,29,31,36)/t27-/m1/s1
InChIKeyYWCSSFDUGPEJRX-HHHXNRCGSA-N
XLogP3.33
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide (CID 118956806) is N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)c2cccnc2)C1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide?
The InChIKey is YWCSSFDUGPEJRX-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H24FN5O5/c1-29-25(36)31-20-8-9-22-18(13-20)10-11-27(22)24(35)33(26(37)38-27)16-23(34)32(21-3-2-12-30-14-21)15-17-4-6-19(28)7-5-17/h2-9,12-14H,10-11,15-16H2,1H3,(H2,29,31,36)/t27-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide?
N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide has a molecular weight of 517.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 118956806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).