N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine

C16H19N3O — CID 44580683

IUPACN-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine
SMILESCCCCNc1ccnc2[nH]c3c(OC)cccc3c12
InChIInChI=1S/C16H19N3O/c1-3-4-9-17-12-8-10-18-16-14(12)11-6-5-7-13(20-2)15(11)19-16/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19)
InChIKeyXOUYCJDFEKNRSQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.94
Rot. Bonds5

About N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine

N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine (PubChem CID 44580683) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine.

Molecular Properties

Compound NameN-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine
PubChem CID44580683
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine
SMILESCCCCNc1ccnc2[nH]c3c(OC)cccc3c12
InChIInChI=1S/C16H19N3O/c1-3-4-9-17-12-8-10-18-16-14(12)11-6-5-7-13(20-2)15(11)19-16/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19)
InChIKeyXOUYCJDFEKNRSQ-UHFFFAOYSA-N
XLogP3.94
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.94
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 N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine?
The IUPAC name of N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine (CID 44580683) is N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine.
What is the SMILES notation for N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine?
The canonical SMILES for N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine is CCCCNc1ccnc2[nH]c3c(OC)cccc3c12.
What is the InChIKey of N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine?
The InChIKey is XOUYCJDFEKNRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-4-9-17-12-8-10-18-16-14(12)11-6-5-7-13(20-2)15(11)19-16/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19).
What are the key properties of N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine?
N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-methoxy-9H-pyrido[2,3-b]indol-4-amine is sourced from PubChem (CID 44580683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).