3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium

C19H24N3+ — CID 138398560

IUPAC3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium
SMILESC[N+](C)(C)CCCN1C=CC(=C2C=c3ccccc3=N2)C=C1
InChIInChI=1S/C19H24N3/c1-22(2,3)14-6-11-21-12-9-16(10-13-21)19-15-17-7-4-5-8-18(17)20-19/h4-5,7-10,12-13,15H,6,11,14H2,1-3H3/q+1
InChIKeyQEIIPSDHTBCWSF-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.79
Rot. Bonds4

About 3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium

3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium (PubChem CID 138398560) has the molecular formula C19H24N3+ and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium.

Molecular Properties

Compound Name3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium
PubChem CID138398560
Molecular FormulaC19H24N3+
Molecular Weight294.42 g/mol
Exact Mass294.20
IUPAC Name3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium
SMILESC[N+](C)(C)CCCN1C=CC(=C2C=c3ccccc3=N2)C=C1
InChIInChI=1S/C19H24N3/c1-22(2,3)14-6-11-21-12-9-16(10-13-21)19-15-17-7-4-5-8-18(17)20-19/h4-5,7-10,12-13,15H,6,11,14H2,1-3H3/q+1
InChIKeyQEIIPSDHTBCWSF-UHFFFAOYSA-N
XLogP1.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-inden-1-ylidenepyridine
CID 91539953
3-(1,3-dioxoisoindol-2-yl)propyl-trimethylazanium
CID 19927294
trimethyl-[3-[4-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-enylidene]-1-pyridinyl]propyl]azanium diiodide
CID 53425809
3-[4-[(E)-3-(2,3-dihydro-1,3-benzoxazol-2-yl)prop-2-enylidene]-1-pyridinyl]propyl-trimethylazanium
CID 22950256
2-(1-methyl-4-pyridinylidene)benzimidazole
CID 12614921
1-butyl-4-[2,3,4,5,6-pentakis(1-butyl-4-pyridinylidene)cyclohexylidene]pyridine
CID 24774382
2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid
CID 126419139
12-[bis[12-(1,3-dioxoisoindol-2-yl)dodecyl]amino]dodecyl-trimethylazanium
CID 118517529
2-[1-(2-hydroxypropyl)-4-pyridinylidene]indene-1,3-dione
CID 12640660
1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride
CID 172750361
3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
CID 155683089
trimethyl(3-pyrido[4,3-b]indol-2-ylpropyl)azanium
CID 138400456

Frequently Asked Questions

What is the IUPAC name of 3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium?
The IUPAC name of 3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium (CID 138398560) is 3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium.
What is the SMILES notation for 3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium?
The canonical SMILES for 3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium is C[N+](C)(C)CCCN1C=CC(=C2C=c3ccccc3=N2)C=C1.
What is the InChIKey of 3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium?
The InChIKey is QEIIPSDHTBCWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N3/c1-22(2,3)14-6-11-21-12-9-16(10-13-21)19-15-17-7-4-5-8-18(17)20-19/h4-5,7-10,12-13,15H,6,11,14H2,1-3H3/q+1.
What are the key properties of 3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium?
3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium has a molecular weight of 294.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-indol-2-ylidene-1-pyridinyl)propyl-trimethylazanium is sourced from PubChem (CID 138398560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).