N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine

C20H27FN4O2S — CID 133411361

IUPACN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCN(C)Cc1ccc(CNc2ncccc2S(=O)(=O)N2CCCCC2)cc1F
InChIInChI=1S/C20H27FN4O2S/c1-24(2)15-17-9-8-16(13-18(17)21)14-23-20-19(7-6-10-22-20)28(26,27)25-11-4-3-5-12-25/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,22,23)
InChIKeyBATMOVYRBJRHLZ-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.07
Rot. Bonds7

About N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133411361) has the molecular formula C20H27FN4O2S and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID133411361
Molecular FormulaC20H27FN4O2S
Molecular Weight406.53 g/mol
Exact Mass406.18
IUPAC NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCN(C)Cc1ccc(CNc2ncccc2S(=O)(=O)N2CCCCC2)cc1F
InChIInChI=1S/C20H27FN4O2S/c1-24(2)15-17-9-8-16(13-18(17)21)14-23-20-19(7-6-10-22-20)28(26,27)25-11-4-3-5-12-25/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,22,23)
InChIKeyBATMOVYRBJRHLZ-UHFFFAOYSA-N
XLogP3.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308692
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine
CID 133411366
N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 127297981
2-[(3-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-N-propylacetamide
CID 133383079
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55549584
3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine
CID 133333855
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133411326
1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine
CID 71106524
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55692860
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine (CID 133411361) is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine is CN(C)Cc1ccc(CNc2ncccc2S(=O)(=O)N2CCCCC2)cc1F.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is BATMOVYRBJRHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2S/c1-24(2)15-17-9-8-16(13-18(17)21)14-23-20-19(7-6-10-22-20)28(26,27)25-11-4-3-5-12-25/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,22,23).
What are the key properties of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine?
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 406.53 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133411361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).