N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide

C15H20N6O3S — CID 118293552

IUPACN-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(N3CCCNS3(O)O)c2)ccn1
InChIInChI=1S/C15H20N6O3S/c1-10(22)20-14-8-11(3-5-17-14)12-7-13(15(16)18-9-12)21-6-2-4-19-25(21,23)24/h3,5,7-9,19,23-24H,2,4,6H2,1H3,(H2,16,18)(H,17,20,22)
InChIKeyULBZTQZMDLMLQX-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.06
Rot. Bonds3

About N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118293552) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118293552
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC NameN-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(N3CCCNS3(O)O)c2)ccn1
InChIInChI=1S/C15H20N6O3S/c1-10(22)20-14-8-11(3-5-17-14)12-7-13(15(16)18-9-12)21-6-2-4-19-25(21,23)24/h3,5,7-9,19,23-24H,2,4,6H2,1H3,(H2,16,18)(H,17,20,22)
InChIKeyULBZTQZMDLMLQX-UHFFFAOYSA-N
XLogP2.06
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide (CID 118293552) is N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N)c(N3CCCNS3(O)O)c2)ccn1.
What is the InChIKey of N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is ULBZTQZMDLMLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-10(22)20-14-8-11(3-5-17-14)12-7-13(15(16)18-9-12)21-6-2-4-19-25(21,23)24/h3,5,7-9,19,23-24H,2,4,6H2,1H3,(H2,16,18)(H,17,20,22).
What are the key properties of N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 364.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).