N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide

C13H17N5O3S — CID 154856989

IUPACN-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide
SMILESCC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1cccnc1N
InChIInChI=1S/C13H17N5O3S/c1-8-10(9(2)18-22(20,21)17-8)5-6-12(19)16-11-4-3-7-15-13(11)14/h3-4,7,17H,5-6H2,1-2H3,(H2,14,15)(H,16,19)
InChIKeyJAGZIXNTNPXIPN-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.97
Rot. Bonds4

About N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide

N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide (PubChem CID 154856989) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide
PubChem CID154856989
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC NameN-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide
SMILESCC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1cccnc1N
InChIInChI=1S/C13H17N5O3S/c1-8-10(9(2)18-22(20,21)17-8)5-6-12(19)16-11-4-3-7-15-13(11)14/h3-4,7,17H,5-6H2,1-2H3,(H2,14,15)(H,16,19)
InChIKeyJAGZIXNTNPXIPN-UHFFFAOYSA-N
XLogP0.97
TPSA126.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide?
The IUPAC name of N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide (CID 154856989) is N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide.
What is the SMILES notation for N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide?
The canonical SMILES for N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide is CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1cccnc1N.
What is the InChIKey of N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide?
The InChIKey is JAGZIXNTNPXIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-8-10(9(2)18-22(20,21)17-8)5-6-12(19)16-11-4-3-7-15-13(11)14/h3-4,7,17H,5-6H2,1-2H3,(H2,14,15)(H,16,19).
What are the key properties of N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide?
N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide has a molecular weight of 323.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-pyridinyl)-3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanamide is sourced from PubChem (CID 154856989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).