2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride

C14H21ClN4O3S — CID 119534119

IUPAC2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C14H20N4O3S.ClH/c19-14(16-6-4-11-3-5-15-10-11)12-2-1-7-18-8-9-22(20,21)17-13(12)18;/h1-2,7,11,15H,3-6,8-10H2,(H,16,19);1H
InChIKeyAEGKUDFKTWDDGM-UHFFFAOYSA-N
MW360.87 g/mol
LogP0.02
Rot. Bonds4

About 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride

2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride (PubChem CID 119534119) has the molecular formula C14H21ClN4O3S and a molecular weight of 360.87 g/mol. Its IUPAC name is 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
PubChem CID119534119
Molecular FormulaC14H21ClN4O3S
Molecular Weight360.87 g/mol
Exact Mass360.10
IUPAC Name2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C14H20N4O3S.ClH/c19-14(16-6-4-11-3-5-15-10-11)12-2-1-7-18-8-9-22(20,21)17-13(12)18;/h1-2,7,11,15H,3-6,8-10H2,(H,16,19);1H
InChIKeyAEGKUDFKTWDDGM-UHFFFAOYSA-N
XLogP0.02
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
CID 119500598
2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119537819
2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid
CID 119171374
2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 51081159
N-[2-(2-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78809016
3-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]-2-methylpropanoic acid
CID 119237007
N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 119640306
N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55496155
1,4-diazepan-1-yl-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone
CID 119414823
N-(2-benzamidophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55679576
N-(4-ethoxyphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777025
2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78807949

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
The IUPAC name of 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride (CID 119534119) is 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride.
What is the SMILES notation for 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
The canonical SMILES for 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
The InChIKey is AEGKUDFKTWDDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S.ClH/c19-14(16-6-4-11-3-5-15-10-11)12-2-1-7-18-8-9-22(20,21)17-13(12)18;/h1-2,7,11,15H,3-6,8-10H2,(H,16,19);1H.
What are the key properties of 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride has a molecular weight of 360.87 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride is sourced from PubChem (CID 119534119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).