N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine

C18H23FN4O2S — CID 156534475

IUPACN-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine
SMILESCc1ccc(Nc2cc(F)cc(CN3CCN(S(C)(=O)=O)CC3)c2)cn1
InChIInChI=1S/C18H23FN4O2S/c1-14-3-4-17(12-20-14)21-18-10-15(9-16(19)11-18)13-22-5-7-23(8-6-22)26(2,24)25/h3-4,9-12,21H,5-8,13H2,1-2H3
InChIKeyIQXUAMGPMICYIT-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.35
Rot. Bonds5

About N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine

N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine (PubChem CID 156534475) has the molecular formula C18H23FN4O2S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine
PubChem CID156534475
Molecular FormulaC18H23FN4O2S
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC NameN-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine
SMILESCc1ccc(Nc2cc(F)cc(CN3CCN(S(C)(=O)=O)CC3)c2)cn1
InChIInChI=1S/C18H23FN4O2S/c1-14-3-4-17(12-20-14)21-18-10-15(9-16(19)11-18)13-22-5-7-23(8-6-22)26(2,24)25/h3-4,9-12,21H,5-8,13H2,1-2H3
InChIKeyIQXUAMGPMICYIT-UHFFFAOYSA-N
XLogP2.35
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[3-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]methyl]piperazin-1-yl]ethanone
CID 156534539
1-[3-fluoro-5-[[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 56838627
1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11667339
1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11660722
1-[3-[3-(4-ethylsulfonylpiperazin-1-yl)propyl]-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676996
N-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 69225261
1-[3-fluoro-5-(pyrrol-1-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 142687518
bis(tert-butyl 4-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate);N,N-dimethylsulfamoyl chloride;1-[3-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea;methyl carbonochloridate;methyl 4-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate;dihydrofluoride
CID 160899656
N-(4-fluorophenyl)-6-methylpyridin-3-amine
CID 141340358
1-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 35150863
1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 171690317
1-[(3,4-dichlorophenyl)methyl]-4-methylsulfonylpiperazine
CID 4767728

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine?
The IUPAC name of N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine (CID 156534475) is N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine.
What is the SMILES notation for N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine?
The canonical SMILES for N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine is Cc1ccc(Nc2cc(F)cc(CN3CCN(S(C)(=O)=O)CC3)c2)cn1.
What is the InChIKey of N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine?
The InChIKey is IQXUAMGPMICYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2S/c1-14-3-4-17(12-20-14)21-18-10-15(9-16(19)11-18)13-22-5-7-23(8-6-22)26(2,24)25/h3-4,9-12,21H,5-8,13H2,1-2H3.
What are the key properties of N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine?
N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine has a molecular weight of 378.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine is sourced from PubChem (CID 156534475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).