4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide

C24H20N4O3S — CID 71594071

IUPAC4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(-c4ccc(C(N)=O)cc4)nc3)c2)cc1
InChIInChI=1S/C24H20N4O3S/c1-32(30,31)20-9-6-15(7-10-20)19-12-21(23(25)28-14-19)18-8-11-22(27-13-18)16-2-4-17(5-3-16)24(26)29/h2-14H,1H3,(H2,25,28)(H2,26,29)
InChIKeyDIKZGXZLDGBHJK-UHFFFAOYSA-N
MW444.52 g/mol
LogP3.56
Rot. Bonds5

About 4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide

4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide (PubChem CID 71594071) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide
PubChem CID71594071
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(-c4ccc(C(N)=O)cc4)nc3)c2)cc1
InChIInChI=1S/C24H20N4O3S/c1-32(30,31)20-9-6-15(7-10-20)19-12-21(23(25)28-14-19)18-8-11-22(27-13-18)16-2-4-17(5-3-16)24(26)29/h2-14H,1H3,(H2,25,28)(H2,26,29)
InChIKeyDIKZGXZLDGBHJK-UHFFFAOYSA-N
XLogP3.56
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide?
The IUPAC name of 4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide (CID 71594071) is 4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(-c4ccc(C(N)=O)cc4)nc3)c2)cc1.
What is the InChIKey of 4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide?
The InChIKey is DIKZGXZLDGBHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-32(30,31)20-9-6-15(7-10-20)19-12-21(23(25)28-14-19)18-8-11-22(27-13-18)16-2-4-17(5-3-16)24(26)29/h2-14H,1H3,(H2,25,28)(H2,26,29).
What are the key properties of 4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide?
4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide has a molecular weight of 444.52 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 71594071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).