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

C17H17N3 — CID 117014262

IUPAC2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESc1cncc(CN2CCc3[nH]c4ccccc4c3C2)c1
InChIInChI=1S/C17H17N3/c1-2-6-16-14(5-1)15-12-20(9-7-17(15)19-16)11-13-4-3-8-18-10-13/h1-6,8,10,19H,7,9,11-12H2
InChIKeyUZYCLPQWWADBCS-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.12
Rot. Bonds2

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

2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 117014262) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID117014262
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESc1cncc(CN2CCc3[nH]c4ccccc4c3C2)c1
InChIInChI=1S/C17H17N3/c1-2-6-16-14(5-1)15-12-20(9-7-17(15)19-16)11-13-4-3-8-18-10-13/h1-6,8,10,19H,7,9,11-12H2
InChIKeyUZYCLPQWWADBCS-UHFFFAOYSA-N
XLogP3.12
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-7-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[3,4-b]indole
CID 58159479
2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 13216318
2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
CID 54587721
2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 22980542
2-[(3-chlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 766064
2-(quinolin-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3867472
1-(2-fluorophenyl)-2-(pyridin-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 45196795
5-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 25278288
2-methyl-7-(pyridin-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867243
2-(4-phenylbutyl)-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole;hydrochloride
CID 155549427
3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 29259331
2-[(3-methoxyphenyl)methyl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 53358504

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 117014262) is 2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole is c1cncc(CN2CCc3[nH]c4ccccc4c3C2)c1.
What is the InChIKey of 2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is UZYCLPQWWADBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-6-16-14(5-1)15-12-20(9-7-17(15)19-16)11-13-4-3-8-18-10-13/h1-6,8,10,19H,7,9,11-12H2.
What are the key properties of 2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 263.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 117014262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).