N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide

C13H13N3O3S — CID 118249076

IUPACN-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(S(C)(=O)=O)c2)ccn1
InChIInChI=1S/C13H13N3O3S/c1-9(17)16-13-6-10(3-4-15-13)11-5-12(8-14-7-11)20(2,18)19/h3-8H,1-2H3,(H,15,16,17)
InChIKeyDGVHIDHBBXKHIB-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.51
Rot. Bonds3

About N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide

N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide (PubChem CID 118249076) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
PubChem CID118249076
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(S(C)(=O)=O)c2)ccn1
InChIInChI=1S/C13H13N3O3S/c1-9(17)16-13-6-10(3-4-15-13)11-5-12(8-14-7-11)20(2,18)19/h3-8H,1-2H3,(H,15,16,17)
InChIKeyDGVHIDHBBXKHIB-UHFFFAOYSA-N
XLogP1.51
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide (CID 118249076) is N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cncc(S(C)(=O)=O)c2)ccn1.
What is the InChIKey of N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
The InChIKey is DGVHIDHBBXKHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-9(17)16-13-6-10(3-4-15-13)11-5-12(8-14-7-11)20(2,18)19/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide has a molecular weight of 291.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118249076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).