N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide

C19H17F2N5O3S — CID 118249084

IUPACN-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCNc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H17F2N5O3S/c1-11(27)25-18-8-12(5-6-23-18)13-7-17(19(22-2)24-10-13)30(28,29)26-16-4-3-14(20)9-15(16)21/h3-10,26H,1-2H3,(H,22,24)(H,23,25,27)
InChIKeyJFNRZOXOKKNVOF-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.22
Rot. Bonds6

About N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249084) has the molecular formula C19H17F2N5O3S and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249084
Molecular FormulaC19H17F2N5O3S
Molecular Weight433.44 g/mol
Exact Mass433.10
IUPAC NameN-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCNc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H17F2N5O3S/c1-11(27)25-18-8-12(5-6-23-18)13-7-17(19(22-2)24-10-13)30(28,29)26-16-4-3-14(20)9-15(16)21/h3-10,26H,1-2H3,(H,22,24)(H,23,25,27)
InChIKeyJFNRZOXOKKNVOF-UHFFFAOYSA-N
XLogP3.22
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249084) is N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide is CNc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is JFNRZOXOKKNVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O3S/c1-11(27)25-18-8-12(5-6-23-18)13-7-17(19(22-2)24-10-13)30(28,29)26-16-4-3-14(20)9-15(16)21/h3-10,26H,1-2H3,(H,22,24)(H,23,25,27).
What are the key properties of N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 433.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).