N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C17H18N4O3S — CID 11462489

IUPACN-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2)c2cc(NS(C)(=O)=O)cnc21
InChIInChI=1S/C17H18N4O3S/c1-21-11-15(17(22)19-9-12-6-4-3-5-7-12)14-8-13(10-18-16(14)21)20-25(2,23)24/h3-8,10-11,20H,9H2,1-2H3,(H,19,22)
InChIKeyOQWOLSJCXYYMGF-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.87
Rot. Bonds5

About N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11462489) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11462489
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2)c2cc(NS(C)(=O)=O)cnc21
InChIInChI=1S/C17H18N4O3S/c1-21-11-15(17(22)19-9-12-6-4-3-5-7-12)14-8-13(10-18-16(14)21)20-25(2,23)24/h3-8,10-11,20H,9H2,1-2H3,(H,19,22)
InChIKeyOQWOLSJCXYYMGF-UHFFFAOYSA-N
XLogP1.87
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 11462489) is N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is Cn1cc(C(=O)NCc2ccccc2)c2cc(NS(C)(=O)=O)cnc21.
What is the InChIKey of N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is OQWOLSJCXYYMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-21-11-15(17(22)19-9-12-6-4-3-5-7-12)14-8-13(10-18-16(14)21)20-25(2,23)24/h3-8,10-11,20H,9H2,1-2H3,(H,19,22).
What are the key properties of N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11462489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).