N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

C20H18N6O3S — CID 66552408

IUPACN-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NCc4ccccc4)c3)cn2n1
InChIInChI=1S/C20H18N6O3S/c1-14(27)23-20-24-19-8-7-16(13-26(19)25-20)17-9-18(12-21-11-17)30(28,29)22-10-15-5-3-2-4-6-15/h2-9,11-13,22H,10H2,1H3,(H,23,25,27)
InChIKeyRFOKSSJFXAFUBB-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.23
Rot. Bonds6

About N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 66552408) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID66552408
Molecular FormulaC20H18N6O3S
Molecular Weight422.47 g/mol
Exact Mass422.12
IUPAC NameN-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NCc4ccccc4)c3)cn2n1
InChIInChI=1S/C20H18N6O3S/c1-14(27)23-20-24-19-8-7-16(13-26(19)25-20)17-9-18(12-21-11-17)30(28,29)22-10-15-5-3-2-4-6-15/h2-9,11-13,22H,10H2,1H3,(H,23,25,27)
InChIKeyRFOKSSJFXAFUBB-UHFFFAOYSA-N
XLogP2.23
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 66552408) is N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NCc4ccccc4)c3)cn2n1.
What is the InChIKey of N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is RFOKSSJFXAFUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c1-14(27)23-20-24-19-8-7-16(13-26(19)25-20)17-9-18(12-21-11-17)30(28,29)22-10-15-5-3-2-4-6-15/h2-9,11-13,22H,10H2,1H3,(H,23,25,27).
What are the key properties of N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 422.47 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(benzylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 66552408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).