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

C19H19N5O3S — CID 118293472

IUPACN-[4-[6-amino-5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N(C)c3ccccc3)c2)ccn1
InChIInChI=1S/C19H19N5O3S/c1-13(25)23-18-11-14(8-9-21-18)15-10-17(19(20)22-12-15)28(26,27)24(2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H2,20,22)(H,21,23,25)
InChIKeyGSLGWRRQIWAWBC-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.51
Rot. Bonds5

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

N-[4-[6-amino-5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118293472) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[4-[6-amino-5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118293472
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-[4-[6-amino-5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N(C)c3ccccc3)c2)ccn1
InChIInChI=1S/C19H19N5O3S/c1-13(25)23-18-11-14(8-9-21-18)15-10-17(19(20)22-12-15)28(26,27)24(2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H2,20,22)(H,21,23,25)
InChIKeyGSLGWRRQIWAWBC-UHFFFAOYSA-N
XLogP2.51
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.51
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-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide (CID 118293472) is N-[4-[6-amino-5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N(C)c3ccccc3)c2)ccn1.
What is the InChIKey of N-[4-[6-amino-5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is GSLGWRRQIWAWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-13(25)23-18-11-14(8-9-21-18)15-10-17(19(20)22-12-15)28(26,27)24(2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H2,20,22)(H,21,23,25).
What are the key properties of N-[4-[6-amino-5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-amino-5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.51, 5 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-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).