N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid

C20H21ClF3N5O5S — CID 162333740

About N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid

N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 162333740) has the molecular formula C20H21ClF3N5O5S and a molecular weight of 535.93 g/mol. Its IUPAC name is N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 162333740
• Molecular Formula: C20H21ClF3N5O5S
• Molecular Weight: 535.93 g/mol
• Exact Mass: 535.09
• IUPAC Name: N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: NC1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cn2)C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H20ClN5O3S.C2HF3O2/c19-15-3-2-14(28-15)17(25)22-8-13-10-24(18(26)27-13)12-1-4-16(21-7-12)23-6-5-11(20)9-23;3-2(4,5)1(6)7/h1-4,7,11,13H,5-6,8-10,20H2,(H,22,25);(H,6,7)/t11?,13-;/m0./s1
• InChIKey: OCDGKCFUCDWUNE-IYWIJXFJSA-N
• XLogP: 2.72
• TPSA: 138.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.93
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 162333740) is N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid is NC1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cn2)C1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is OCDGKCFUCDWUNE-IYWIJXFJSA-N. The full InChI is InChI=1S/C18H20ClN5O3S.C2HF3O2/c19-15-3-2-14(28-15)17(25)22-8-13-10-24(18(26)27-13)12-1-4-16(21-7-12)23-6-5-11(20)9-23;3-2(4,5)1(6)7/h1-4,7,11,13H,5-6,8-10,20H2,(H,22,25);(H,6,7)/t11?,13-;/m0./s1.

What are the key properties of N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid?

N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 535.93 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162333740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).