N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide

C14H16N4O3S — CID 118249091

IUPACN-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1cc(-c2ccnc(NC(C)=O)c2)cnc1N
InChIInChI=1S/C14H16N4O3S/c1-3-22(20,21)12-6-11(8-17-14(12)15)10-4-5-16-13(7-10)18-9(2)19/h4-8H,3H2,1-2H3,(H2,15,17)(H,16,18,19)
InChIKeyPYEYCMLCWOCKMU-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.48
Rot. Bonds4

About N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide

N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide (PubChem CID 118249091) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
PubChem CID118249091
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1cc(-c2ccnc(NC(C)=O)c2)cnc1N
InChIInChI=1S/C14H16N4O3S/c1-3-22(20,21)12-6-11(8-17-14(12)15)10-4-5-16-13(7-10)18-9(2)19/h4-8H,3H2,1-2H3,(H2,15,17)(H,16,18,19)
InChIKeyPYEYCMLCWOCKMU-UHFFFAOYSA-N
XLogP1.48
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide (CID 118249091) is N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide is CCS(=O)(=O)c1cc(-c2ccnc(NC(C)=O)c2)cnc1N.
What is the InChIKey of N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
The InChIKey is PYEYCMLCWOCKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-3-22(20,21)12-6-11(8-17-14(12)15)10-4-5-16-13(7-10)18-9(2)19/h4-8H,3H2,1-2H3,(H2,15,17)(H,16,18,19).
What are the key properties of N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide has a molecular weight of 320.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118249091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).