N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine

C18H17N3O2 — CID 58064806

IUPACN-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine
SMILESc1cc(Nc2ccc3c(c2)OCO3)c2c3c([nH]c2n1)CCCC3
InChIInChI=1S/C18H17N3O2/c1-2-4-13-12(3-1)17-14(7-8-19-18(17)21-13)20-11-5-6-15-16(9-11)23-10-22-15/h5-9H,1-4,10H2,(H2,19,20,21)
InChIKeyRJTWAGGCFSIGBV-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.91
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine

N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine (PubChem CID 58064806) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine
PubChem CID58064806
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine
SMILESc1cc(Nc2ccc3c(c2)OCO3)c2c3c([nH]c2n1)CCCC3
InChIInChI=1S/C18H17N3O2/c1-2-4-13-12(3-1)17-14(7-8-19-18(17)21-13)20-11-5-6-15-16(9-11)23-10-22-15/h5-9H,1-4,10H2,(H2,19,20,21)
InChIKeyRJTWAGGCFSIGBV-UHFFFAOYSA-N
XLogP3.91
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine (CID 58064806) is N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine is c1cc(Nc2ccc3c(c2)OCO3)c2c3c([nH]c2n1)CCCC3.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine?
The InChIKey is RJTWAGGCFSIGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-4-13-12(3-1)17-14(7-8-19-18(17)21-13)20-11-5-6-15-16(9-11)23-10-22-15/h5-9H,1-4,10H2,(H2,19,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine?
N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine has a molecular weight of 307.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine is sourced from PubChem (CID 58064806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).