8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole

C16H17N3 — CID 116985837

IUPAC8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole
SMILESc1cc2[nH]c3ccc(CC4CCNC4)cc3c2cn1
InChIInChI=1S/C16H17N3/c1-2-15-13(14-10-18-6-4-16(14)19-15)8-11(1)7-12-3-5-17-9-12/h1-2,4,6,8,10,12,17,19H,3,5,7,9H2
InChIKeyWJVKMVKZJWLMDA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.87
Rot. Bonds2

About 8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole

8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole (PubChem CID 116985837) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole
PubChem CID116985837
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole
SMILESc1cc2[nH]c3ccc(CC4CCNC4)cc3c2cn1
InChIInChI=1S/C16H17N3/c1-2-15-13(14-10-18-6-4-16(14)19-15)8-11(1)7-12-3-5-17-9-12/h1-2,4,6,8,10,12,17,19H,3,5,7,9H2
InChIKeyWJVKMVKZJWLMDA-UHFFFAOYSA-N
XLogP2.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine
CID 116986104
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
5-(pyrrolidin-3-ylmethyl)-1H-indole
CID 82607721
3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole
CID 84784140
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
6-(pyrrolidin-3-ylmethyl)-1,2-benzoxazole
CID 84776800
3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine
CID 84785505
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 110257850
3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
CID 84713943
2-imidazol-1-yl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 124980656
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909

Frequently Asked Questions

What is the IUPAC name of 8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole?
The IUPAC name of 8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole (CID 116985837) is 8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole?
The canonical SMILES for 8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole is c1cc2[nH]c3ccc(CC4CCNC4)cc3c2cn1.
What is the InChIKey of 8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole?
The InChIKey is WJVKMVKZJWLMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-15-13(14-10-18-6-4-16(14)19-15)8-11(1)7-12-3-5-17-9-12/h1-2,4,6,8,10,12,17,19H,3,5,7,9H2.
What are the key properties of 8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole?
8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole has a molecular weight of 251.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 116985837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).