5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol

C13H21N3O2 — CID 66052604

IUPAC5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol
SMILESCOc1cccc(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-15(2)8-10-7-11(17)9-16(10)12-5-4-6-13(14-12)18-3/h4-6,10-11,17H,7-9H2,1-3H3
InChIKeyKWODUNKJXRDGOV-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.59
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol (PubChem CID 66052604) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol
PubChem CID66052604
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol
SMILESCOc1cccc(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-15(2)8-10-7-11(17)9-16(10)12-5-4-6-13(14-12)18-3/h4-6,10-11,17H,7-9H2,1-3H3
InChIKeyKWODUNKJXRDGOV-UHFFFAOYSA-N
XLogP0.59
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol (CID 66052604) is 5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol is COc1cccc(N2CC(O)CC2CN(C)C)n1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol?
The InChIKey is KWODUNKJXRDGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15(2)8-10-7-11(17)9-16(10)12-5-4-6-13(14-12)18-3/h4-6,10-11,17H,7-9H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol has a molecular weight of 251.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 66052604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).