N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide

C17H17N5O2S — CID 167754462

IUPACN-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide
SMILESO=C1CSc2cc(NC(=O)c3cnc(C4CCCN4)nc3)ccc2N1
InChIInChI=1S/C17H17N5O2S/c23-15-9-25-14-6-11(3-4-12(14)22-15)21-17(24)10-7-19-16(20-8-10)13-2-1-5-18-13/h3-4,6-8,13,18H,1-2,5,9H2,(H,21,24)(H,22,23)
InChIKeyHXGUFLQLFCOXDB-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.20
Rot. Bonds3

About N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide

N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide (PubChem CID 167754462) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide
PubChem CID167754462
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide
SMILESO=C1CSc2cc(NC(=O)c3cnc(C4CCCN4)nc3)ccc2N1
InChIInChI=1S/C17H17N5O2S/c23-15-9-25-14-6-11(3-4-12(14)22-15)21-17(24)10-7-19-16(20-8-10)13-2-1-5-18-13/h3-4,6-8,13,18H,1-2,5,9H2,(H,21,24)(H,22,23)
InChIKeyHXGUFLQLFCOXDB-UHFFFAOYSA-N
XLogP2.20
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide
CID 103808228
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide
CID 166261360
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
CID 103763504
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
(3R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124785
(3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124708
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
CID 26592395
2-(cyclopentylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 60850681
N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55784088
N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63006250

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide (CID 167754462) is N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide is O=C1CSc2cc(NC(=O)c3cnc(C4CCCN4)nc3)ccc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide?
The InChIKey is HXGUFLQLFCOXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-15-9-25-14-6-11(3-4-12(14)22-15)21-17(24)10-7-19-16(20-8-10)13-2-1-5-18-13/h3-4,6-8,13,18H,1-2,5,9H2,(H,21,24)(H,22,23).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide?
N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 167754462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).