N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine

C19H17N5O4S — CID 88535610

IUPACN-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine
SMILES[H]N=S(=O)(Nc1cccc(-c2nc3ncccc3o2)n1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H17N5O4S/c1-26-14-9-8-12(11-16(14)27-2)29(20,25)24-17-7-3-5-13(22-17)19-23-18-15(28-19)6-4-10-21-18/h3-11H,1-2H3,(H2,20,22,24,25)
InChIKeyTVCLYEOAJSAMSZ-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.73
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine

N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine (PubChem CID 88535610) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine
PubChem CID88535610
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC NameN-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine
SMILES[H]N=S(=O)(Nc1cccc(-c2nc3ncccc3o2)n1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H17N5O4S/c1-26-14-9-8-12(11-16(14)27-2)29(20,25)24-17-7-3-5-13(22-17)19-23-18-15(28-19)6-4-10-21-18/h3-11H,1-2H3,(H2,20,22,24,25)
InChIKeyTVCLYEOAJSAMSZ-UHFFFAOYSA-N
XLogP3.73
TPSA123.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine 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-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine (CID 88535610) is N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine is [H]N=S(=O)(Nc1cccc(-c2nc3ncccc3o2)n1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine?
The InChIKey is TVCLYEOAJSAMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-26-14-9-8-12(11-16(14)27-2)29(20,25)24-17-7-3-5-13(22-17)19-23-18-15(28-19)6-4-10-21-18/h3-11H,1-2H3,(H2,20,22,24,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine?
N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine has a molecular weight of 411.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)sulfonimidoyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine is sourced from PubChem (CID 88535610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).