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

C19H25ClN4OS — CID 3048174

IUPACN-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride
SMILESCCN(CC)CCCNC(=O)N1c2ccccc2Sc2cccnc21.Cl
InChIInChI=1S/C19H24N4OS.ClH/c1-3-22(4-2)14-8-13-21-19(24)23-15-9-5-6-10-16(15)25-17-11-7-12-20-18(17)23;/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,21,24);1H
InChIKeyUTTIXNAQIHGDGB-UHFFFAOYSA-N
MW392.96 g/mol
LogP4.55
Rot. Bonds6

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

N-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride (PubChem CID 3048174) has the molecular formula C19H25ClN4OS and a molecular weight of 392.96 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride
PubChem CID3048174
Molecular FormulaC19H25ClN4OS
Molecular Weight392.96 g/mol
Exact Mass392.14
IUPAC NameN-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride
SMILESCCN(CC)CCCNC(=O)N1c2ccccc2Sc2cccnc21.Cl
InChIInChI=1S/C19H24N4OS.ClH/c1-3-22(4-2)14-8-13-21-19(24)23-15-9-5-6-10-16(15)25-17-11-7-12-20-18(17)23;/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,21,24);1H
InChIKeyUTTIXNAQIHGDGB-UHFFFAOYSA-N
XLogP4.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.96
LogP ≤ 54.55
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-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride?
The IUPAC name of N-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride (CID 3048174) is N-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride is CCN(CC)CCCNC(=O)N1c2ccccc2Sc2cccnc21.Cl.
What is the InChIKey of N-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride?
The InChIKey is UTTIXNAQIHGDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS.ClH/c1-3-22(4-2)14-8-13-21-19(24)23-15-9-5-6-10-16(15)25-17-11-7-12-20-18(17)23;/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,21,24);1H.
What are the key properties of N-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride?
N-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride has a molecular weight of 392.96 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride is sourced from PubChem (CID 3048174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).