1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea

C17H20N4O3S — CID 66611001

IUPAC1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H20N4O3S/c22-17(19-13-14-4-3-9-18-12-14)20-15-5-7-16(8-6-15)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H2,19,20,22)
InChIKeyYPMPPCOGEJCUBV-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.19
Rot. Bonds5

About 1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea

1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea (PubChem CID 66611001) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea
PubChem CID66611001
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H20N4O3S/c22-17(19-13-14-4-3-9-18-12-14)20-15-5-7-16(8-6-15)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H2,19,20,22)
InChIKeyYPMPPCOGEJCUBV-UHFFFAOYSA-N
XLogP2.19
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea?
The IUPAC name of 1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea (CID 66611001) is 1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea is O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea?
The InChIKey is YPMPPCOGEJCUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-17(19-13-14-4-3-9-18-12-14)20-15-5-7-16(8-6-15)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H2,19,20,22).
What are the key properties of 1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea?
1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea has a molecular weight of 360.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea is sourced from PubChem (CID 66611001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).