N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C19H17FN4O3S — CID 118249082

IUPACN-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3cccc(F)c3)c2)ccn1
InChIInChI=1S/C19H17FN4O3S/c1-12-18(24-28(26,27)17-5-3-4-16(20)10-17)8-15(11-22-12)14-6-7-21-19(9-14)23-13(2)25/h3-11,24H,1-2H3,(H,21,23,25)
InChIKeyPQZGOWCLBPIKAI-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.35
Rot. Bonds5

About N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249082) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249082
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC NameN-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3cccc(F)c3)c2)ccn1
InChIInChI=1S/C19H17FN4O3S/c1-12-18(24-28(26,27)17-5-3-4-16(20)10-17)8-15(11-22-12)14-6-7-21-19(9-14)23-13(2)25/h3-11,24H,1-2H3,(H,21,23,25)
InChIKeyPQZGOWCLBPIKAI-UHFFFAOYSA-N
XLogP3.35
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249082) is N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3cccc(F)c3)c2)ccn1.
What is the InChIKey of N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is PQZGOWCLBPIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c1-12-18(24-28(26,27)17-5-3-4-16(20)10-17)8-15(11-22-12)14-6-7-21-19(9-14)23-13(2)25/h3-11,24H,1-2H3,(H,21,23,25).
What are the key properties of N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 400.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(3-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).