N-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride

C17H21ClN4OS — CID 3048176

IUPACN-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride
SMILESCN(C)CCCNC(=O)N1c2ccccc2Sc2cccnc21.Cl
InChIInChI=1S/C17H20N4OS.ClH/c1-20(2)12-6-11-19-17(22)21-13-7-3-4-8-14(13)23-15-9-5-10-18-16(15)21;/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,22);1H
InChIKeyUETNCBYQNPFEDM-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.77
Rot. Bonds4

About N-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride

N-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride (PubChem CID 3048176) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride
PubChem CID3048176
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC NameN-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride
SMILESCN(C)CCCNC(=O)N1c2ccccc2Sc2cccnc21.Cl
InChIInChI=1S/C17H20N4OS.ClH/c1-20(2)12-6-11-19-17(22)21-13-7-3-4-8-14(13)23-15-9-5-10-18-16(15)21;/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,22);1H
InChIKeyUETNCBYQNPFEDM-UHFFFAOYSA-N
XLogP3.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.77
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-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride (CID 3048176) is N-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride is CN(C)CCCNC(=O)N1c2ccccc2Sc2cccnc21.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride?
The InChIKey is UETNCBYQNPFEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS.ClH/c1-20(2)12-6-11-19-17(22)21-13-7-3-4-8-14(13)23-15-9-5-10-18-16(15)21;/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,22);1H.
What are the key properties of N-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride?
N-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride is sourced from PubChem (CID 3048176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).