N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine

C17H29N3O3S — CID 154753706

IUPACN,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine
SMILESCC(CN1CCC(Oc2ccnc(CN(C)C)c2)C1)CS(C)(=O)=O
InChIInChI=1S/C17H29N3O3S/c1-14(13-24(4,21)22)10-20-8-6-17(12-20)23-16-5-7-18-15(9-16)11-19(2)3/h5,7,9,14,17H,6,8,10-13H2,1-4H3
InChIKeyQUMJGVMALFIGNC-UHFFFAOYSA-N
MW355.50 g/mol
LogP1.28
Rot. Bonds8

About N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine

N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine (PubChem CID 154753706) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine
PubChem CID154753706
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC NameN,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine
SMILESCC(CN1CCC(Oc2ccnc(CN(C)C)c2)C1)CS(C)(=O)=O
InChIInChI=1S/C17H29N3O3S/c1-14(13-24(4,21)22)10-20-8-6-17(12-20)23-16-5-7-18-15(9-16)11-19(2)3/h5,7,9,14,17H,6,8,10-13H2,1-4H3
InChIKeyQUMJGVMALFIGNC-UHFFFAOYSA-N
XLogP1.28
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 154753698
N,N-dimethyl-1-[4-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine
CID 154753697
N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine
CID 154753505
[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 154761996
[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methanamine
CID 62288053
tert-butyl (3S)-3-[[2-(hydroxymethyl)-4-pyridinyl]oxy]pyrrolidine-1-carboxylate
CID 166114212
tert-butyl 4-[[2-(methylsulfonyloxymethyl)-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 164602392
N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine
CID 166291698
N-cyclobutyl-N-[(4R)-1-[(4-methoxy-2-pyridinyl)methyl]azepan-4-yl]methanesulfonamide
CID 129341023
N-[[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62288585
1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]butane-2,3-diol
CID 146142310
(4-cyclopentyloxy-2-pyridinyl)methanol
CID 61258192

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine (CID 154753706) is N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine is CC(CN1CCC(Oc2ccnc(CN(C)C)c2)C1)CS(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine?
The InChIKey is QUMJGVMALFIGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-14(13-24(4,21)22)10-20-8-6-17(12-20)23-16-5-7-18-15(9-16)11-19(2)3/h5,7,9,14,17H,6,8,10-13H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine?
N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine has a molecular weight of 355.50 g/mol, XLogP of 1.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine is sourced from PubChem (CID 154753706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).