N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide

C19H19N5O3S — CID 118249326

IUPACN-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCNc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H19N5O3S/c1-13(25)23-18-11-14(8-9-21-18)15-10-17(19(20-2)22-12-15)28(26,27)24-16-6-4-3-5-7-16/h3-12,24H,1-2H3,(H,20,22)(H,21,23,25)
InChIKeyNIRYOQPKPKXBJC-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.94
Rot. Bonds6

About N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249326) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249326
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCNc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H19N5O3S/c1-13(25)23-18-11-14(8-9-21-18)15-10-17(19(20-2)22-12-15)28(26,27)24-16-6-4-3-5-7-16/h3-12,24H,1-2H3,(H,20,22)(H,21,23,25)
InChIKeyNIRYOQPKPKXBJC-UHFFFAOYSA-N
XLogP2.94
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249326) is N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide is CNc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is NIRYOQPKPKXBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-13(25)23-18-11-14(8-9-21-18)15-10-17(19(20-2)22-12-15)28(26,27)24-16-6-4-3-5-7-16/h3-12,24H,1-2H3,(H,20,22)(H,21,23,25).
What are the key properties of N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(methylamino)-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).