2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C14H16N6O3S — CID 51081159

IUPAC2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCCNc1ncccn1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C14H16N6O3S/c21-13(15-6-7-18-14-16-4-2-5-17-14)11-3-1-8-20-9-10-24(22,23)19-12(11)20/h1-5,8H,6-7,9-10H2,(H,15,21)(H,16,17,18)
InChIKeyHSYQJTNGGXEJCJ-UHFFFAOYSA-N
MW348.39 g/mol
LogP-0.50
Rot. Bonds5

About 2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 51081159) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID51081159
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC Name2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCCNc1ncccn1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C14H16N6O3S/c21-13(15-6-7-18-14-16-4-2-5-17-14)11-3-1-8-20-9-10-24(22,23)19-12(11)20/h1-5,8H,6-7,9-10H2,(H,15,21)(H,16,17,18)
InChIKeyHSYQJTNGGXEJCJ-UHFFFAOYSA-N
XLogP-0.50
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid
CID 119171374
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-(2,4-dichlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 9467110
N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 119640306
N-(2-benzamidophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55679576
N-(2,5-dimethylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8776900
N-(4-ethoxyphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777025
[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone
CID 55383405
N-[1-(1-benzofuran-2-yl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78811547
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8801213
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone
CID 120809485

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of 2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 51081159) is 2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for 2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(NCCNc1ncccn1)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of 2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is HSYQJTNGGXEJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c21-13(15-6-7-18-14-16-4-2-5-17-14)11-3-1-8-20-9-10-24(22,23)19-12(11)20/h1-5,8H,6-7,9-10H2,(H,15,21)(H,16,17,18).
What are the key properties of 2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 348.39 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 51081159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).