1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine

C20H21N3O — CID 66766168

IUPAC1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine
SMILESCCCCC(N)c1ccc2c(n1)[nH]c1ccc(-c3ccco3)cc12
InChIInChI=1S/C20H21N3O/c1-2-3-5-16(21)18-10-8-14-15-12-13(19-6-4-11-24-19)7-9-17(15)22-20(14)23-18/h4,6-12,16H,2-3,5,21H2,1H3,(H,22,23)
InChIKeyIGIWAQDYDHMZRU-UHFFFAOYSA-N
MW319.41 g/mol
LogP5.17
Rot. Bonds5

About 1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine

1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine (PubChem CID 66766168) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine
PubChem CID66766168
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine
SMILESCCCCC(N)c1ccc2c(n1)[nH]c1ccc(-c3ccco3)cc12
InChIInChI=1S/C20H21N3O/c1-2-3-5-16(21)18-10-8-14-15-12-13(19-6-4-11-24-19)7-9-17(15)22-20(14)23-18/h4,6-12,16H,2-3,5,21H2,1H3,(H,22,23)
InChIKeyIGIWAQDYDHMZRU-UHFFFAOYSA-N
XLogP5.17
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine?
The IUPAC name of 1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine (CID 66766168) is 1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine.
What is the SMILES notation for 1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine?
The canonical SMILES for 1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine is CCCCC(N)c1ccc2c(n1)[nH]c1ccc(-c3ccco3)cc12.
What is the InChIKey of 1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine?
The InChIKey is IGIWAQDYDHMZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-3-5-16(21)18-10-8-14-15-12-13(19-6-4-11-24-19)7-9-17(15)22-20(14)23-18/h4,6-12,16H,2-3,5,21H2,1H3,(H,22,23).
What are the key properties of 1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine?
1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine has a molecular weight of 319.41 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-2-yl]pentan-1-amine is sourced from PubChem (CID 66766168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).