6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide

C20H19ClN4O5 — CID 11539245

IUPAC6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)nc1
InChIInChI=1S/C20H19ClN4O5/c21-17-6-1-13(9-22-17)19(27)23-10-16-11-25(20(28)30-16)15-4-2-14(3-5-15)24-7-8-29-12-18(24)26/h1-6,9,16H,7-8,10-12H2,(H,23,27)/t16-/m0/s1
InChIKeyDFCKVMFGLWCSNQ-INIZCTEOSA-N
MW430.85 g/mol
LogP1.85
Rot. Bonds5

About 6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide

6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 11539245) has the molecular formula C20H19ClN4O5 and a molecular weight of 430.85 g/mol. Its IUPAC name is 6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide
PubChem CID11539245
Molecular FormulaC20H19ClN4O5
Molecular Weight430.85 g/mol
Exact Mass430.10
IUPAC Name6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)nc1
InChIInChI=1S/C20H19ClN4O5/c21-17-6-1-13(9-22-17)19(27)23-10-16-11-25(20(28)30-16)15-4-2-14(3-5-15)24-7-8-29-12-18(24)26/h1-6,9,16H,7-8,10-12H2,(H,23,27)/t16-/m0/s1
InChIKeyDFCKVMFGLWCSNQ-INIZCTEOSA-N
XLogP1.85
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide (CID 11539245) is 6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is DFCKVMFGLWCSNQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19ClN4O5/c21-17-6-1-13(9-22-17)19(27)23-10-16-11-25(20(28)30-16)15-4-2-14(3-5-15)24-7-8-29-12-18(24)26/h1-6,9,16H,7-8,10-12H2,(H,23,27)/t16-/m0/s1.
What are the key properties of 6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide?
6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 430.85 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 11539245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).