1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol

C12H19N3O — CID 112624182

IUPAC1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
SMILESCc1nc(N2CCC(C(C)O)C2)ccc1N
InChIInChI=1S/C12H19N3O/c1-8-11(13)3-4-12(14-8)15-6-5-10(7-15)9(2)16/h3-4,9-10,16H,5-7,13H2,1-2H3
InChIKeyJEPJBFUWKBLCOE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.18
Rot. Bonds2

About 1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol

1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol (PubChem CID 112624182) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
PubChem CID112624182
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
SMILESCc1nc(N2CCC(C(C)O)C2)ccc1N
InChIInChI=1S/C12H19N3O/c1-8-11(13)3-4-12(14-8)15-6-5-10(7-15)9(2)16/h3-4,9-10,16H,5-7,13H2,1-2H3
InChIKeyJEPJBFUWKBLCOE-UHFFFAOYSA-N
XLogP1.18
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol (CID 112624182) is 1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol is Cc1nc(N2CCC(C(C)O)C2)ccc1N.
What is the InChIKey of 1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The InChIKey is JEPJBFUWKBLCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-11(13)3-4-12(14-8)15-6-5-10(7-15)9(2)16/h3-4,9-10,16H,5-7,13H2,1-2H3.
What are the key properties of 1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol?
1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).