2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide

C20H20ClN5O5 — CID 90216269

IUPAC2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
SMILESNc1cccc(Cl)c1C(=O)NCCCC1CN(c2ccc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C20H20ClN5O5/c21-12-4-1-5-13(22)17(12)19(28)23-8-2-3-11-9-26(20(29)31-11)15-7-6-14-18(24-15)25-16(27)10-30-14/h1,4-7,11H,2-3,8-10,22H2,(H,23,28)(H,24,25,27)
InChIKeyJVUYYICMUDRVLB-UHFFFAOYSA-N
MW445.86 g/mol
LogP2.18
Rot. Bonds6

About 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide

2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide (PubChem CID 90216269) has the molecular formula C20H20ClN5O5 and a molecular weight of 445.86 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
PubChem CID90216269
Molecular FormulaC20H20ClN5O5
Molecular Weight445.86 g/mol
Exact Mass445.12
IUPAC Name2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
SMILESNc1cccc(Cl)c1C(=O)NCCCC1CN(c2ccc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C20H20ClN5O5/c21-12-4-1-5-13(22)17(12)19(28)23-8-2-3-11-9-26(20(29)31-11)15-7-6-14-18(24-15)25-16(27)10-30-14/h1,4-7,11H,2-3,8-10,22H2,(H,23,28)(H,24,25,27)
InChIKeyJVUYYICMUDRVLB-UHFFFAOYSA-N
XLogP2.18
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.86
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide with MolForge

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Related Compounds

2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 90216287
6-[5-[[(4-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 166759607
3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal
CID 87367134
2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 89405764
6-[(5S)-2-oxo-5-[3-[[(3S)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 135308259
2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 156862569
3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl methanesulfonate
CID 90216333
6-[5-[3-[(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156861925
6-[5-[2-[(4-chloro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156862265
2-[2-[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]ethyl]isoindole-1,3-dione
CID 156862197
6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156862364
6-[5-[2-[[3-[(1-aminocyclopropyl)methoxy]-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156862770

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide (CID 90216269) is 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide is Nc1cccc(Cl)c1C(=O)NCCCC1CN(c2ccc3c(n2)NC(=O)CO3)C(=O)O1.
What is the InChIKey of 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
The InChIKey is JVUYYICMUDRVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O5/c21-12-4-1-5-13(22)17(12)19(28)23-8-2-3-11-9-26(20(29)31-11)15-7-6-14-18(24-15)25-16(27)10-30-14/h1,4-7,11H,2-3,8-10,22H2,(H,23,28)(H,24,25,27).
What are the key properties of 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide has a molecular weight of 445.86 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide is sourced from PubChem (CID 90216269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).