1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol

C12H19N3O2 — CID 106670475

IUPAC1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
SMILESCNCc1cnc(N2CC(O)C(O)C2)c(C)c1
InChIInChI=1S/C12H19N3O2/c1-8-3-9(4-13-2)5-14-12(8)15-6-10(16)11(17)7-15/h3,5,10-11,13,16-17H,4,6-7H2,1-2H3
InChIKeyMLLMIYHZHFIITG-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.35
Rot. Bonds3

About 1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol

1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol (PubChem CID 106670475) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
PubChem CID106670475
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
SMILESCNCc1cnc(N2CC(O)C(O)C2)c(C)c1
InChIInChI=1S/C12H19N3O2/c1-8-3-9(4-13-2)5-14-12(8)15-6-10(16)11(17)7-15/h3,5,10-11,13,16-17H,4,6-7H2,1-2H3
InChIKeyMLLMIYHZHFIITG-UHFFFAOYSA-N
XLogP-0.35
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-5-[6-(methylamino)-3-pyridinyl]pent-4-en-1-ol
CID 49792505
(3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol
CID 165112499
1-(Pyridin-2-yl)pyrrolidin-3-ol
CID 21702798
(3R)-1-(pyridin-2-yl)pyrrolidin-3-ol
CID 53945591
(R)-1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)pyrrolidin-3-ol
CID 59619626
(3S)-1-(2-Pyridinyl)-3-pyrrolidinol
CID 67266355
(2S)-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 178273392
1-{[5-(Trifluoromethyl)-2-pyridinyl]amino}-2-propanol
CID 2985764
Dicyclopropyl-methanone O-[2-hydroxy-3-(5-methyl-pyridin-2-ylamino)-propyl]-oxime
CID 10520137
(2R,3R,4S)-1-[(2-amino-3-pyridinyl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 44568590
1-(2-Hydroxyethyl)-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 53504679
1-(4-Methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol
CID 71976610

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol (CID 106670475) is 1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol is CNCc1cnc(N2CC(O)C(O)C2)c(C)c1.
What is the InChIKey of 1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol?
The InChIKey is MLLMIYHZHFIITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-3-9(4-13-2)5-14-12(8)15-6-10(16)11(17)7-15/h3,5,10-11,13,16-17H,4,6-7H2,1-2H3.
What are the key properties of 1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol?
1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol has a molecular weight of 237.30 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106670475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).