methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate

C16H17N5O4S — CID 118246502

IUPACmethyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)N(C)C)ccn1
InChIInChI=1S/C16H17N5O4S/c1-20(2)26(23,24)21-7-5-12-13(9-17-10-14(12)21)11-4-6-18-15(8-11)19-16(22)25-3/h4-10H,1-3H3,(H,18,19,22)
InChIKeyDTRHJJNXFCEJLB-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.93
Rot. Bonds4

About methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate

methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate (PubChem CID 118246502) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
PubChem CID118246502
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Namemethyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)N(C)C)ccn1
InChIInChI=1S/C16H17N5O4S/c1-20(2)26(23,24)21-7-5-12-13(9-17-10-14(12)21)11-4-6-18-15(8-11)19-16(22)25-3/h4-10H,1-3H3,(H,18,19,22)
InChIKeyDTRHJJNXFCEJLB-UHFFFAOYSA-N
XLogP1.93
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate (CID 118246502) is methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)N(C)C)ccn1.
What is the InChIKey of methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
The InChIKey is DTRHJJNXFCEJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-20(2)26(23,24)21-7-5-12-13(9-17-10-14(12)21)11-4-6-18-15(8-11)19-16(22)25-3/h4-10H,1-3H3,(H,18,19,22).
What are the key properties of methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate has a molecular weight of 375.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 118246502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).