3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

C16H15N3 — CID 159829847

IUPAC3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESc1cncc(C2Cc3[nH]c4ccccc4c3CN2)c1
InChIInChI=1S/C16H15N3/c1-2-6-14-12(5-1)13-10-18-15(8-16(13)19-14)11-4-3-7-17-9-11/h1-7,9,15,18-19H,8,10H2
InChIKeyFKIVCOQLAFYLND-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.95
Rot. Bonds1

About 3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 159829847) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID159829847
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESc1cncc(C2Cc3[nH]c4ccccc4c3CN2)c1
InChIInChI=1S/C16H15N3/c1-2-6-14-12(5-1)13-10-18-15(8-16(13)19-14)11-4-3-7-17-9-11/h1-7,9,15,18-19H,8,10H2
InChIKeyFKIVCOQLAFYLND-UHFFFAOYSA-N
XLogP2.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol
CID 13375506
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333441
(14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene
CID 95792936
2-phenoxy-1-[(1S)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CID 92730510
2-phenoxy-1-[(1R)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CID 92730511
2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 117014262
8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 151112967
N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 52986929
(1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole
CID 177219714
6-(pyridin-3-ylmethylideneamino)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 5199007

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CID 159829847) is 3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is c1cncc(C2Cc3[nH]c4ccccc4c3CN2)c1.
What is the InChIKey of 3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is FKIVCOQLAFYLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-6-14-12(5-1)13-10-18-15(8-16(13)19-14)11-4-3-7-17-9-11/h1-7,9,15,18-19H,8,10H2.
What are the key properties of 3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 249.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 159829847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).