N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide

C16H17N3O2S — CID 3048181

IUPACN-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide
SMILESCOCCCNC(=O)N1c2ccccc2Sc2cccnc21
InChIInChI=1S/C16H17N3O2S/c1-21-11-5-10-18-16(20)19-12-6-2-3-7-13(12)22-14-8-4-9-17-15(14)19/h2-4,6-9H,5,10-11H2,1H3,(H,18,20)
InChIKeyDRXQILDFSOEPHJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.43
Rot. Bonds4

About N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide

N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide (PubChem CID 3048181) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide
PubChem CID3048181
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide
SMILESCOCCCNC(=O)N1c2ccccc2Sc2cccnc21
InChIInChI=1S/C16H17N3O2S/c1-21-11-5-10-18-16(20)19-12-6-2-3-7-13(12)22-14-8-4-9-17-15(14)19/h2-4,6-9H,5,10-11H2,1H3,(H,18,20)
InChIKeyDRXQILDFSOEPHJ-UHFFFAOYSA-N
XLogP3.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide?
The IUPAC name of N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide (CID 3048181) is N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide is COCCCNC(=O)N1c2ccccc2Sc2cccnc21.
What is the InChIKey of N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide?
The InChIKey is DRXQILDFSOEPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-21-11-5-10-18-16(20)19-12-6-2-3-7-13(12)22-14-8-4-9-17-15(14)19/h2-4,6-9H,5,10-11H2,1H3,(H,18,20).
What are the key properties of N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide?
N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide is sourced from PubChem (CID 3048181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).