2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine

C22H26N2 — CID 141314304

IUPAC2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine
SMILESCC(C)(C)C1(C)CC(c2ccc(C#Cc3ccccc3)cn2)CN1
InChIInChI=1S/C22H26N2/c1-21(2,3)22(4)14-19(16-24-22)20-13-12-18(15-23-20)11-10-17-8-6-5-7-9-17/h5-9,12-13,15,19,24H,14,16H2,1-4H3
InChIKeyRILAAJYHGVEXCO-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.36
Rot. Bonds1

About 2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine

2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine (PubChem CID 141314304) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine.

Molecular Properties

Compound Name2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine
PubChem CID141314304
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine
SMILESCC(C)(C)C1(C)CC(c2ccc(C#Cc3ccccc3)cn2)CN1
InChIInChI=1S/C22H26N2/c1-21(2,3)22(4)14-19(16-24-22)20-13-12-18(15-23-20)11-10-17-8-6-5-7-9-17/h5-9,12-13,15,19,24H,14,16H2,1-4H3
InChIKeyRILAAJYHGVEXCO-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-5-methyl-3-[5-(2-phenylethynyl)-2-pyridinyl]pyrrolidin-2-one
CID 141314277
2-(5,5-dimethylpyrrolidin-3-yl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine
CID 141314240
2-[(1R,3R)-3-ethylcyclohexyl]-5-(2-phenylethynyl)pyridine
CID 67458263
5-(1,1-difluoroethyl)-5-methyl-2-[5-(2-phenylethynyl)-2-pyridinyl]pyrazolidin-3-one
CID 149195244
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
5-[2-(3-fluorophenyl)ethynyl]-2-[(1S,3S)-3-methylcyclopentyl]pyridine
CID 70979688
2-(3,3-dimethylpyrazolidin-1-yl)-5-(2-phenylethynyl)pyridine
CID 152538841
N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine
CID 58483730
5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]pyrrolidin-2-one
CID 141314263
9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol
CID 163533521
(4S)-4-tert-butyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
CID 67437318
N-(oxan-4-yl)-5-(2-phenylethynyl)pyridin-2-amine
CID 52917035

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine?
The IUPAC name of 2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine (CID 141314304) is 2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine.
What is the SMILES notation for 2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine?
The canonical SMILES for 2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine is CC(C)(C)C1(C)CC(c2ccc(C#Cc3ccccc3)cn2)CN1.
What is the InChIKey of 2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine?
The InChIKey is RILAAJYHGVEXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-21(2,3)22(4)14-19(16-24-22)20-13-12-18(15-23-20)11-10-17-8-6-5-7-9-17/h5-9,12-13,15,19,24H,14,16H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine?
2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine has a molecular weight of 318.46 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine is sourced from PubChem (CID 141314304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).