2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol

C15H20N2O — CID 5246890

IUPAC2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol
SMILESCN1CCCC1c1cncc(C#CC(C)(C)O)c1
InChIInChI=1S/C15H20N2O/c1-15(2,18)7-6-12-9-13(11-16-10-12)14-5-4-8-17(14)3/h9-11,14,18H,4-5,8H2,1-3H3
InChIKeyIFPUJRNUSSIRNX-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.97
Rot. Bonds1

About 2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol

2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol (PubChem CID 5246890) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol
PubChem CID5246890
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol
SMILESCN1CCCC1c1cncc(C#CC(C)(C)O)c1
InChIInChI=1S/C15H20N2O/c1-15(2,18)7-6-12-9-13(11-16-10-12)14-5-4-8-17(14)3/h9-11,14,18H,4-5,8H2,1-3H3
InChIKeyIFPUJRNUSSIRNX-UHFFFAOYSA-N
XLogP1.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol?
The IUPAC name of 2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol (CID 5246890) is 2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol.
What is the SMILES notation for 2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol?
The canonical SMILES for 2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol is CN1CCCC1c1cncc(C#CC(C)(C)O)c1.
What is the InChIKey of 2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol?
The InChIKey is IFPUJRNUSSIRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,18)7-6-12-9-13(11-16-10-12)14-5-4-8-17(14)3/h9-11,14,18H,4-5,8H2,1-3H3.
What are the key properties of 2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol?
2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol has a molecular weight of 244.34 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]but-3-yn-2-ol is sourced from PubChem (CID 5246890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).