N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

C24H24FN5O3 — CID 11442290

IUPACN-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)[C@@H]5CNC[C@@H]54)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H24FN5O3/c1-2-22(31)29-9-16-12-30(23(32)33-16)15-4-5-17(20(25)7-15)14-3-6-21(28-8-14)24(13-26)18-10-27-11-19(18)24/h3-8,16,18-19,27H,2,9-12H2,1H3,(H,29,31)/t16-,18-,19+,24?/m0/s1
InChIKeyMEFMZNYPSYGGQX-ITPFYXQNSA-N
MW449.49 g/mol
LogP2.35
Rot. Bonds6

About N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (PubChem CID 11442290) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
PubChem CID11442290
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC NameN-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)[C@@H]5CNC[C@@H]54)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H24FN5O3/c1-2-22(31)29-9-16-12-30(23(32)33-16)15-4-5-17(20(25)7-15)14-3-6-21(28-8-14)24(13-26)18-10-27-11-19(18)24/h3-8,16,18-19,27H,2,9-12H2,1H3,(H,29,31)/t16-,18-,19+,24?/m0/s1
InChIKeyMEFMZNYPSYGGQX-ITPFYXQNSA-N
XLogP2.35
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The IUPAC name of N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (CID 11442290) is N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.
What is the SMILES notation for N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The canonical SMILES for N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is CCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)[C@@H]5CNC[C@@H]54)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The InChIKey is MEFMZNYPSYGGQX-ITPFYXQNSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-2-22(31)29-9-16-12-30(23(32)33-16)15-4-5-17(20(25)7-15)14-3-6-21(28-8-14)24(13-26)18-10-27-11-19(18)24/h3-8,16,18-19,27H,2,9-12H2,1H3,(H,29,31)/t16-,18-,19+,24?/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide has a molecular weight of 449.49 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is sourced from PubChem (CID 11442290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).