[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea

C14H18N6O3S — CID 118298839

IUPAC[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea
SMILESCC(C)NS(=O)(=O)c1cc(-c2ccnc(NC(N)=O)c2)cnc1N
InChIInChI=1S/C14H18N6O3S/c1-8(2)20-24(22,23)11-5-10(7-18-13(11)15)9-3-4-17-12(6-9)19-14(16)21/h3-8,20H,1-2H3,(H2,15,18)(H3,16,17,19,21)
InChIKeyIHKPVVOERBLRJH-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.90
Rot. Bonds5

About [4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea

[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea (PubChem CID 118298839) has the molecular formula C14H18N6O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is [4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea
PubChem CID118298839
Molecular FormulaC14H18N6O3S
Molecular Weight350.40 g/mol
Exact Mass350.12
IUPAC Name[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea
SMILESCC(C)NS(=O)(=O)c1cc(-c2ccnc(NC(N)=O)c2)cnc1N
InChIInChI=1S/C14H18N6O3S/c1-8(2)20-24(22,23)11-5-10(7-18-13(11)15)9-3-4-17-12(6-9)19-14(16)21/h3-8,20H,1-2H3,(H2,15,18)(H3,16,17,19,21)
InChIKeyIHKPVVOERBLRJH-UHFFFAOYSA-N
XLogP0.90
TPSA153.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea?
The IUPAC name of [4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea (CID 118298839) is [4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea.
What is the SMILES notation for [4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea?
The canonical SMILES for [4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea is CC(C)NS(=O)(=O)c1cc(-c2ccnc(NC(N)=O)c2)cnc1N.
What is the InChIKey of [4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea?
The InChIKey is IHKPVVOERBLRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3S/c1-8(2)20-24(22,23)11-5-10(7-18-13(11)15)9-3-4-17-12(6-9)19-14(16)21/h3-8,20H,1-2H3,(H2,15,18)(H3,16,17,19,21).
What are the key properties of [4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea?
[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea has a molecular weight of 350.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea is sourced from PubChem (CID 118298839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).