N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide

C13H15N3OS2 — CID 136561586

IUPACN-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide
SMILESCc1c(NC(=O)C2CSCCS2)cnc2[nH]ccc12
InChIInChI=1S/C13H15N3OS2/c1-8-9-2-3-14-12(9)15-6-10(8)16-13(17)11-7-18-4-5-19-11/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyUHRXFBSPDUXSAV-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.66
Rot. Bonds2

About N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide

N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide (PubChem CID 136561586) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide
PubChem CID136561586
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide
SMILESCc1c(NC(=O)C2CSCCS2)cnc2[nH]ccc12
InChIInChI=1S/C13H15N3OS2/c1-8-9-2-3-14-12(9)15-6-10(8)16-13(17)11-7-18-4-5-19-11/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyUHRXFBSPDUXSAV-UHFFFAOYSA-N
XLogP2.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide 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-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide?
The IUPAC name of N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide (CID 136561586) is N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide.
What is the SMILES notation for N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide?
The canonical SMILES for N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide is Cc1c(NC(=O)C2CSCCS2)cnc2[nH]ccc12.
What is the InChIKey of N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide?
The InChIKey is UHRXFBSPDUXSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-8-9-2-3-14-12(9)15-6-10(8)16-13(17)11-7-18-4-5-19-11/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide?
N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 136561586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).