2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride

C14H21ClN4O3S — CID 119537819

IUPAC2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C14H20N4O3S.ClH/c19-14(16-6-4-11-3-5-15-9-11)12-1-2-13-17-22(20,21)8-7-18(13)10-12;/h1-2,10-11,15H,3-9H2,(H,16,19);1H
InChIKeyXBKJICRUYTUPHA-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-7-carboxamide;hydrochloride

2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride (PubChem CID 119537819) 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-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
PubChem CID119537819
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-7-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C14H20N4O3S.ClH/c19-14(16-6-4-11-3-5-15-9-11)12-1-2-13-17-22(20,21)8-7-18(13)10-12;/h1-2,10-11,15H,3-9H2,(H,16,19);1H
InChIKeyXBKJICRUYTUPHA-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

2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119428877
2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
CID 119534119
N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 36710961
N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119630347
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 30755038
N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 51949947
2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46674635
prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 47110644
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46598218
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537198
2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535955
N-[1-(4-methylphenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 55371111

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-7-carboxamide;hydrochloride?
The IUPAC name of 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride (CID 119537819) is 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-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-7-carboxamide;hydrochloride?
The canonical SMILES for 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of 2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
The InChIKey is XBKJICRUYTUPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S.ClH/c19-14(16-6-4-11-3-5-15-9-11)12-1-2-13-17-22(20,21)8-7-18(13)10-12;/h1-2,10-11,15H,3-9H2,(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-7-carboxamide;hydrochloride?
2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-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-7-carboxamide;hydrochloride is sourced from PubChem (CID 119537819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).