3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid

C24H42N2O2 — CID 67864533

IUPAC3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.CN1CCC[C@H]1c1cccnc1
InChIInChI=1S/C14H28O2.C10H14N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-13H2,1H3,(H,15,16);2,4,6,8,10H,3,5,7H2,1H3/t;10-/m.0/s1
InChIKeyGPDPQNUEHLJMGV-CICJTZRQSA-N
MW390.61 g/mol
LogP6.62
Rot. Bonds13

About 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid

3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid (PubChem CID 67864533) has the molecular formula C24H42N2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid.

Molecular Properties

Compound Name3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid
PubChem CID67864533
Molecular FormulaC24H42N2O2
Molecular Weight390.61 g/mol
Exact Mass390.32
IUPAC Name3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.CN1CCC[C@H]1c1cccnc1
InChIInChI=1S/C14H28O2.C10H14N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-13H2,1H3,(H,15,16);2,4,6,8,10H,3,5,7H2,1H3/t;10-/m.0/s1
InChIKeyGPDPQNUEHLJMGV-CICJTZRQSA-N
XLogP6.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 51042709
hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 137374704
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
4-methoxy-4-oxobutanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 174471430
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
bis((E)-but-2-enedioic acid);bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783487
2,3-dihydroxybutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine;4-oxopentanoic acid
CID 66766245

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid?
The IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid (CID 67864533) is 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid.
What is the SMILES notation for 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid?
The canonical SMILES for 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid is CCCCCCCCCCCCCC(=O)O.CN1CCC[C@H]1c1cccnc1.
What is the InChIKey of 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid?
The InChIKey is GPDPQNUEHLJMGV-CICJTZRQSA-N. The full InChI is InChI=1S/C14H28O2.C10H14N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-13H2,1H3,(H,15,16);2,4,6,8,10H,3,5,7H2,1H3/t;10-/m.0/s1.
What are the key properties of 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid?
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid has a molecular weight of 390.61 g/mol, XLogP of 6.62, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid is sourced from PubChem (CID 67864533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).