1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea

C22H31FN6O3S — CID 23659498

IUPAC1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCc2cc(F)cc(N3CCC(N(C)S(=O)(=O)N(C)C)CC3)c2)cn1
InChIInChI=1S/C22H31FN6O3S/c1-16-5-6-19(15-24-16)26-22(30)25-14-17-11-18(23)13-21(12-17)29-9-7-20(8-10-29)28(4)33(31,32)27(2)3/h5-6,11-13,15,20H,7-10,14H2,1-4H3,(H2,25,26,30)
InChIKeyIXCDUVPJUAQXLC-UHFFFAOYSA-N
MW478.59 g/mol
LogP2.56
Rot. Bonds7

About 1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea

1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 23659498) has the molecular formula C22H31FN6O3S and a molecular weight of 478.59 g/mol. Its IUPAC name is 1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID23659498
Molecular FormulaC22H31FN6O3S
Molecular Weight478.59 g/mol
Exact Mass478.22
IUPAC Name1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCc2cc(F)cc(N3CCC(N(C)S(=O)(=O)N(C)C)CC3)c2)cn1
InChIInChI=1S/C22H31FN6O3S/c1-16-5-6-19(15-24-16)26-22(30)25-14-17-11-18(23)13-21(12-17)29-9-7-20(8-10-29)28(4)33(31,32)27(2)3/h5-6,11-13,15,20H,7-10,14H2,1-4H3,(H2,25,26,30)
InChIKeyIXCDUVPJUAQXLC-UHFFFAOYSA-N
XLogP2.56
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-fluoro-5-[[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 56838627
1-[[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea
CID 68764112
methyl (3R)-3-[3-fluoro-5-[[(6-methyl-3-pyridinyl)carbamoylamino]methyl]phenoxy]piperidine-1-carboxylate
CID 24859079
1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11660722
1-[5-[[(1-ethylsulfonylpiperidin-4-yl)-methylamino]methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676155
1-[3-[(dimethylsulfamoylmethylamino)methyl]-4-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 91025071
1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11667339
1-[3-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 69328073
1-[3-[3-(4-ethylsulfonylpiperazin-1-yl)propyl]-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676996
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 106530805
N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide
CID 56840161
methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate
CID 11709959

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea (CID 23659498) is 1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)NCc2cc(F)cc(N3CCC(N(C)S(=O)(=O)N(C)C)CC3)c2)cn1.
What is the InChIKey of 1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is IXCDUVPJUAQXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN6O3S/c1-16-5-6-19(15-24-16)26-22(30)25-14-17-11-18(23)13-21(12-17)29-9-7-20(8-10-29)28(4)33(31,32)27(2)3/h5-6,11-13,15,20H,7-10,14H2,1-4H3,(H2,25,26,30).
What are the key properties of 1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea?
1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 478.59 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-[dimethylsulfamoyl(methyl)amino]piperidin-1-yl]-5-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 23659498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).