N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide

C20H21N5O3S — CID 118248963

IUPACN-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N(C)Cc3ccccc3)c2)ccn1
InChIInChI=1S/C20H21N5O3S/c1-14(26)24-19-11-16(8-9-22-19)17-10-18(20(21)23-12-17)29(27,28)25(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,21,23)(H,22,24,26)
InChIKeyFCIUDSHYJSXPJU-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.50
Rot. Bonds6

About N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118248963) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118248963
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N(C)Cc3ccccc3)c2)ccn1
InChIInChI=1S/C20H21N5O3S/c1-14(26)24-19-11-16(8-9-22-19)17-10-18(20(21)23-12-17)29(27,28)25(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,21,23)(H,22,24,26)
InChIKeyFCIUDSHYJSXPJU-UHFFFAOYSA-N
XLogP2.50
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide (CID 118248963) is N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N(C)Cc3ccccc3)c2)ccn1.
What is the InChIKey of N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is FCIUDSHYJSXPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-14(26)24-19-11-16(8-9-22-19)17-10-18(20(21)23-12-17)29(27,28)25(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,21,23)(H,22,24,26).
What are the key properties of N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 411.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-[benzyl(methyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118248963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).