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

C20H19F2N5O3S — CID 118249313

IUPACN-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N(C)C)c(S(=O)(=O)Nc3ccc(F)cc3F)c2)ccn1
InChIInChI=1S/C20H19F2N5O3S/c1-12(28)25-19-9-13(6-7-23-19)14-8-18(20(24-11-14)27(2)3)31(29,30)26-17-5-4-15(21)10-16(17)22/h4-11,26H,1-3H3,(H,23,25,28)
InChIKeyQJAJNEWXKJKBJH-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.25
Rot. Bonds6

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

N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249313) has the molecular formula C20H19F2N5O3S and a molecular weight of 447.47 g/mol. Its IUPAC name is N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249313
Molecular FormulaC20H19F2N5O3S
Molecular Weight447.47 g/mol
Exact Mass447.12
IUPAC NameN-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N(C)C)c(S(=O)(=O)Nc3ccc(F)cc3F)c2)ccn1
InChIInChI=1S/C20H19F2N5O3S/c1-12(28)25-19-9-13(6-7-23-19)14-8-18(20(24-11-14)27(2)3)31(29,30)26-17-5-4-15(21)10-16(17)22/h4-11,26H,1-3H3,(H,23,25,28)
InChIKeyQJAJNEWXKJKBJH-UHFFFAOYSA-N
XLogP3.25
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
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-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249313) is N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N(C)C)c(S(=O)(=O)Nc3ccc(F)cc3F)c2)ccn1.
What is the InChIKey of N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is QJAJNEWXKJKBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O3S/c1-12(28)25-19-9-13(6-7-23-19)14-8-18(20(24-11-14)27(2)3)31(29,30)26-17-5-4-15(21)10-16(17)22/h4-11,26H,1-3H3,(H,23,25,28).
What are the key properties of N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[(2,4-difluorophenyl)sulfamoyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 447.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 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-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).