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

C13H14N4O3S — CID 118238017

IUPACN-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(S(C)(=O)=O)c2)ccn1
InChIInChI=1S/C13H14N4O3S/c1-8(18)17-12-6-9(3-4-15-12)10-5-11(21(2,19)20)13(14)16-7-10/h3-7H,1-2H3,(H2,14,16)(H,15,17,18)
InChIKeyZORGKBDLRUZVHN-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.09
Rot. Bonds3

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

N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide (PubChem CID 118238017) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
PubChem CID118238017
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(S(C)(=O)=O)c2)ccn1
InChIInChI=1S/C13H14N4O3S/c1-8(18)17-12-6-9(3-4-15-12)10-5-11(21(2,19)20)13(14)16-7-10/h3-7H,1-2H3,(H2,14,16)(H,15,17,18)
InChIKeyZORGKBDLRUZVHN-UHFFFAOYSA-N
XLogP1.09
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.09
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-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide (CID 118238017) is N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N)c(S(C)(=O)=O)c2)ccn1.
What is the InChIKey of N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
The InChIKey is ZORGKBDLRUZVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-8(18)17-12-6-9(3-4-15-12)10-5-11(21(2,19)20)13(14)16-7-10/h3-7H,1-2H3,(H2,14,16)(H,15,17,18).
What are the key properties of N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide?
N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide has a molecular weight of 306.35 g/mol, XLogP of 1.09, 3 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-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118238017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).