N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C23H32N4O3S — CID 133315978

IUPACN-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCOc1ccc(C2C(CNc3ccc(S(=O)(=O)N4CCCC4)cn3)CCCN2C)cc1
InChIInChI=1S/C23H32N4O3S/c1-26-13-5-6-19(23(26)18-7-9-20(30-2)10-8-18)16-24-22-12-11-21(17-25-22)31(28,29)27-14-3-4-15-27/h7-12,17,19,23H,3-6,13-16H2,1-2H3,(H,24,25)
InChIKeyJRZUWYABSSUOOJ-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.37
Rot. Bonds7

About N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133315978) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID133315978
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC NameN-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCOc1ccc(C2C(CNc3ccc(S(=O)(=O)N4CCCC4)cn3)CCCN2C)cc1
InChIInChI=1S/C23H32N4O3S/c1-26-13-5-6-19(23(26)18-7-9-20(30-2)10-8-18)16-24-22-12-11-21(17-25-22)31(28,29)27-14-3-4-15-27/h7-12,17,19,23H,3-6,13-16H2,1-2H3,(H,24,25)
InChIKeyJRZUWYABSSUOOJ-UHFFFAOYSA-N
XLogP3.37
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one
CID 133315934
4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 86959916
2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133281384
2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86954891
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-methylbutane-1-sulfonamide
CID 86959910
N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
N-[(2-methoxy-4-pyridinyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 24632061
1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol
CID 55680878
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626896
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-[(1-methylpiperidin-3-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133430518
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 133315978) is N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is COc1ccc(C2C(CNc3ccc(S(=O)(=O)N4CCCC4)cn3)CCCN2C)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is JRZUWYABSSUOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-26-13-5-6-19(23(26)18-7-9-20(30-2)10-8-18)16-24-22-12-11-21(17-25-22)31(28,29)27-14-3-4-15-27/h7-12,17,19,23H,3-6,13-16H2,1-2H3,(H,24,25).
What are the key properties of N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 444.60 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133315978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).