5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole

C17H17N3 — CID 58146998

IUPAC5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1c(n2Cc2ccncc2)CCNC1
InChIInChI=1S/C17H17N3/c1-2-4-16-14(3-1)15-11-19-10-7-17(15)20(16)12-13-5-8-18-9-6-13/h1-6,8-9,19H,7,10-12H2
InChIKeyMDLAYMMZLHJDFZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.73
Rot. Bonds2

About 5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole

5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 58146998) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID58146998
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1c(n2Cc2ccncc2)CCNC1
InChIInChI=1S/C17H17N3/c1-2-4-16-14(3-1)15-11-19-10-7-17(15)20(16)12-13-5-8-18-9-6-13/h1-6,8-9,19H,7,10-12H2
InChIKeyMDLAYMMZLHJDFZ-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 58146998) is 5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole is c1ccc2c(c1)c1c(n2Cc2ccncc2)CCNC1.
What is the InChIKey of 5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is MDLAYMMZLHJDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-4-16-14(3-1)15-11-19-10-7-17(15)20(16)12-13-5-8-18-9-6-13/h1-6,8-9,19H,7,10-12H2.
What are the key properties of 5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 263.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 58146998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).