5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide

C13H18N4O3S — CID 11174361

IUPAC5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(C)c2ncc(NS(C)(=O)=O)cc12
InChIInChI=1S/C13H18N4O3S/c1-8(2)15-13(18)11-7-17(3)12-10(11)5-9(6-14-12)16-21(4,19)20/h5-8,16H,1-4H3,(H,15,18)
InChIKeyAPWZYSARCGZACL-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.08
Rot. Bonds4

About 5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide

5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11174361) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11174361
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(C)c2ncc(NS(C)(=O)=O)cc12
InChIInChI=1S/C13H18N4O3S/c1-8(2)15-13(18)11-7-17(3)12-10(11)5-9(6-14-12)16-21(4,19)20/h5-8,16H,1-4H3,(H,15,18)
InChIKeyAPWZYSARCGZACL-UHFFFAOYSA-N
XLogP1.08
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 11174361) is 5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)NC(=O)c1cn(C)c2ncc(NS(C)(=O)=O)cc12.
What is the InChIKey of 5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is APWZYSARCGZACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8(2)15-13(18)11-7-17(3)12-10(11)5-9(6-14-12)16-21(4,19)20/h5-8,16H,1-4H3,(H,15,18).
What are the key properties of 5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11174361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).