methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate

C21H15N3O3S — CID 17273350

IUPACmethyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
SMILESCOC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)C1c1ccccc1
InChIInChI=1S/C21H15N3O3S/c1-27-21(26)17-16(12-7-3-2-4-8-12)14(11-22)20-24(18(17)23)19(25)13-9-5-6-10-15(13)28-20/h2-10,16H,23H2,1H3
InChIKeyVDUXOEYZKUOXJN-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.11
Rot. Bonds2

About methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate

methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate (PubChem CID 17273350) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate.

Molecular Properties

Compound Namemethyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
PubChem CID17273350
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC Namemethyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
SMILESCOC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)C1c1ccccc1
InChIInChI=1S/C21H15N3O3S/c1-27-21(26)17-16(12-7-3-2-4-8-12)14(11-22)20-24(18(17)23)19(25)13-9-5-6-10-15(13)28-20/h2-10,16H,23H2,1H3
InChIKeyVDUXOEYZKUOXJN-UHFFFAOYSA-N
XLogP3.11
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate with MolForge

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Related Compounds

ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273371
ethyl 9-amino-6-cyano-7-(3-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273373
(7S)-9-amino-7-(3-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
CID 7347031
ethyl 9-amino-6-cyano-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273372
(7R)-9-amino-11-oxo-7-(3,4,5-trimethoxyphenyl)-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
CID 41177768
9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
CID 5301314
2-[5-amino-7-(4-chlorophenyl)-8-cyano-6-methoxycarbonyl-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetic acid
CID 17273474
methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate
CID 4063488
methyl 6-amino-9-cyano-8-(3-methoxyphenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carboxylate
CID 17273411
dimethyl 6-amino-1-(4-chloro-2-methoxycarbonylphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645484
dimethyl 6-amino-5-cyano-4-phenyl-1-[4-(4-phenylphenyl)phenyl]-4H-pyridine-2,3-dicarboxylate
CID 168641655
dimethyl 6-amino-5-cyano-1-(4-methoxy-2-methoxycarbonylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641452

Frequently Asked Questions

What is the IUPAC name of methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate?
The IUPAC name of methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate (CID 17273350) is methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate.
What is the SMILES notation for methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate?
The canonical SMILES for methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate is COC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)C1c1ccccc1.
What is the InChIKey of methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate?
The InChIKey is VDUXOEYZKUOXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S/c1-27-21(26)17-16(12-7-3-2-4-8-12)14(11-22)20-24(18(17)23)19(25)13-9-5-6-10-15(13)28-20/h2-10,16H,23H2,1H3.
What are the key properties of methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate?
methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate has a molecular weight of 389.44 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate is sourced from PubChem (CID 17273350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).