N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine

C20H28N4O2S — CID 133385878

IUPACN-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCN(C)c1cccc(CN(C)c2ccc(S(=O)(=O)N3CCCCC3)cn2)c1
InChIInChI=1S/C20H28N4O2S/c1-22(2)18-9-7-8-17(14-18)16-23(3)20-11-10-19(15-21-20)27(25,26)24-12-5-4-6-13-24/h7-11,14-15H,4-6,12-13,16H2,1-3H3
InChIKeyDLHGSTOFNAENQA-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.96
Rot. Bonds6

About N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine

N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133385878) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID133385878
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCN(C)c1cccc(CN(C)c2ccc(S(=O)(=O)N3CCCCC3)cn2)c1
InChIInChI=1S/C20H28N4O2S/c1-22(2)18-9-7-8-17(14-18)16-23(3)20-11-10-19(15-21-20)27(25,26)24-12-5-4-6-13-24/h7-11,14-15H,4-6,12-13,16H2,1-3H3
InChIKeyDLHGSTOFNAENQA-UHFFFAOYSA-N
XLogP2.96
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 134017977
N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide
CID 133385875
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 31920963
N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 8892754
N-[(4-ethylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17470060
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 9195193
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308607
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133288130
N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 18083462
N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 112768239
N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 78805459

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine (CID 133385878) is N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine is CN(C)c1cccc(CN(C)c2ccc(S(=O)(=O)N3CCCCC3)cn2)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is DLHGSTOFNAENQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-22(2)18-9-7-8-17(14-18)16-23(3)20-11-10-19(15-21-20)27(25,26)24-12-5-4-6-13-24/h7-11,14-15H,4-6,12-13,16H2,1-3H3.
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine?
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 388.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133385878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).