hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)

C26H38N4O4 — CID 137374704

IUPAChexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
SMILESCN1CCCC1c1cccnc1.CN1CCCC1c1cccnc1.O=C(O)CCCCC(=O)O
InChIInChI=1S/2C10H14N2.C6H10O4/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-5(8)3-1-2-4-6(9)10/h2*2,4,6,8,10H,3,5,7H2,1H3;1-4H2,(H,7,8)(H,9,10)
InChIKeyDHHHCUIHYNUHEF-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.41
Rot. Bonds7

About hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)

hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine) (PubChem CID 137374704) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine).

Molecular Properties

Compound Namehexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
PubChem CID137374704
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC Namehexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
SMILESCN1CCCC1c1cccnc1.CN1CCCC1c1cccnc1.O=C(O)CCCCC(=O)O
InChIInChI=1S/2C10H14N2.C6H10O4/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-5(8)3-1-2-4-6(9)10/h2*2,4,6,8,10H,3,5,7H2,1H3;1-4H2,(H,7,8)(H,9,10)
InChIKeyDHHHCUIHYNUHEF-UHFFFAOYSA-N
XLogP4.41
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 51042709
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid
CID 67864533
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
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
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217

Frequently Asked Questions

What is the IUPAC name of hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)?
The IUPAC name of hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine) (CID 137374704) is hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine).
What is the SMILES notation for hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)?
The canonical SMILES for hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine) is CN1CCCC1c1cccnc1.CN1CCCC1c1cccnc1.O=C(O)CCCCC(=O)O.
What is the InChIKey of hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)?
The InChIKey is DHHHCUIHYNUHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14N2.C6H10O4/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-5(8)3-1-2-4-6(9)10/h2*2,4,6,8,10H,3,5,7H2,1H3;1-4H2,(H,7,8)(H,9,10).
What are the key properties of hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)?
hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine) has a molecular weight of 470.61 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine) is sourced from PubChem (CID 137374704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).