2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

C15H18N4O4S — CID 167949172

IUPAC2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cncc(N(C)S(=O)(=O)c2ncccc2C(=O)N(C)C)c1
InChIInChI=1S/C15H18N4O4S/c1-18(2)15(20)13-6-5-7-17-14(13)24(21,22)19(3)11-8-12(23-4)10-16-9-11/h5-10H,1-4H3
InChIKeyCKOWXEWUTKJLRP-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.01
Rot. Bonds5

About 2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 167949172) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID167949172
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cncc(N(C)S(=O)(=O)c2ncccc2C(=O)N(C)C)c1
InChIInChI=1S/C15H18N4O4S/c1-18(2)15(20)13-6-5-7-17-14(13)24(21,22)19(3)11-8-12(23-4)10-16-9-11/h5-10H,1-4H3
InChIKeyCKOWXEWUTKJLRP-UHFFFAOYSA-N
XLogP1.01
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide (CID 167949172) is 2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide is COc1cncc(N(C)S(=O)(=O)c2ncccc2C(=O)N(C)C)c1.
What is the InChIKey of 2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is CKOWXEWUTKJLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-18(2)15(20)13-6-5-7-17-14(13)24(21,22)19(3)11-8-12(23-4)10-16-9-11/h5-10H,1-4H3.
What are the key properties of 2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 167949172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).