5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine

C20H21N3O — CID 66766501

IUPAC5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine
SMILESNCCCCCc1ccnc2[nH]c3ccc(-c4ccco4)cc3c12
InChIInChI=1S/C20H21N3O/c21-10-3-1-2-5-14-9-11-22-20-19(14)16-13-15(7-8-17(16)23-20)18-6-4-12-24-18/h4,6-9,11-13H,1-3,5,10,21H2,(H,22,23)
InChIKeyDYZFVDLSSYRKRC-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.65
Rot. Bonds6

About 5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine

5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine (PubChem CID 66766501) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine
PubChem CID66766501
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine
SMILESNCCCCCc1ccnc2[nH]c3ccc(-c4ccco4)cc3c12
InChIInChI=1S/C20H21N3O/c21-10-3-1-2-5-14-9-11-22-20-19(14)16-13-15(7-8-17(16)23-20)18-6-4-12-24-18/h4,6-9,11-13H,1-3,5,10,21H2,(H,22,23)
InChIKeyDYZFVDLSSYRKRC-UHFFFAOYSA-N
XLogP4.65
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine?
The IUPAC name of 5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine (CID 66766501) is 5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine.
What is the SMILES notation for 5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine?
The canonical SMILES for 5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine is NCCCCCc1ccnc2[nH]c3ccc(-c4ccco4)cc3c12.
What is the InChIKey of 5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine?
The InChIKey is DYZFVDLSSYRKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-10-3-1-2-5-14-9-11-22-20-19(14)16-13-15(7-8-17(16)23-20)18-6-4-12-24-18/h4,6-9,11-13H,1-3,5,10,21H2,(H,22,23).
What are the key properties of 5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine?
5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine has a molecular weight of 319.41 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine is sourced from PubChem (CID 66766501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).