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

C18H17N3O3S — CID 53311484

IUPAC[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(CO)nc3)c2)cc1
InChIInChI=1S/C18H17N3O3S/c1-25(23,24)16-6-3-12(4-7-16)14-8-17(18(19)21-10-14)13-2-5-15(11-22)20-9-13/h2-10,22H,11H2,1H3,(H2,19,21)
InChIKeyRJOPAWYXTPAMOM-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.29
Rot. Bonds4

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

[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol (PubChem CID 53311484) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is [5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol
PubChem CID53311484
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(CO)nc3)c2)cc1
InChIInChI=1S/C18H17N3O3S/c1-25(23,24)16-6-3-12(4-7-16)14-8-17(18(19)21-10-14)13-2-5-15(11-22)20-9-13/h2-10,22H,11H2,1H3,(H2,19,21)
InChIKeyRJOPAWYXTPAMOM-UHFFFAOYSA-N
XLogP2.29
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol?
The IUPAC name of [5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol (CID 53311484) is [5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(CO)nc3)c2)cc1.
What is the InChIKey of [5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol?
The InChIKey is RJOPAWYXTPAMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-25(23,24)16-6-3-12(4-7-16)14-8-17(18(19)21-10-14)13-2-5-15(11-22)20-9-13/h2-10,22H,11H2,1H3,(H2,19,21).
What are the key properties of [5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol?
[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol has a molecular weight of 355.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-pyridinyl]methanol is sourced from PubChem (CID 53311484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).