2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol

C12H19N3O — CID 114796912

IUPAC2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
SMILESCc1cc(N2CCC(CCO)C2)ncc1N
InChIInChI=1S/C12H19N3O/c1-9-6-12(14-7-11(9)13)15-4-2-10(8-15)3-5-16/h6-7,10,16H,2-5,8,13H2,1H3
InChIKeyPWJTYBSIZIXLOZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.18
Rot. Bonds3

About 2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol

2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol (PubChem CID 114796912) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
PubChem CID114796912
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
SMILESCc1cc(N2CCC(CCO)C2)ncc1N
InChIInChI=1S/C12H19N3O/c1-9-6-12(14-7-11(9)13)15-4-2-10(8-15)3-5-16/h6-7,10,16H,2-5,8,13H2,1H3
InChIKeyPWJTYBSIZIXLOZ-UHFFFAOYSA-N
XLogP1.18
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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 2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol (CID 114796912) is 2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol is Cc1cc(N2CCC(CCO)C2)ncc1N.
What is the InChIKey of 2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The InChIKey is PWJTYBSIZIXLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-12(14-7-11(9)13)15-4-2-10(8-15)3-5-16/h6-7,10,16H,2-5,8,13H2,1H3.
What are the key properties of 2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol?
2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114796912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).