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

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Related Compounds

Fgi-103
CID 5477931
Furan-2-ylmethyl-methyl-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-amine
CID 9905079
2-[2-(4-fluorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025783
N-(2,6-dimethylbenzyl)-6-(furan-2-yl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
CID 24890348
4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 25165372
N-tert-butyl-6-(furan-2-yl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330919
N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 663609
5-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3233873
6-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3235472
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 3981341
N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 5164621
6-(furan-2-yl)-N-(3-methylbenzyl)quinazolin-4-amine
CID 45485144

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).