2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine

C19H26N4 — CID 44523219

IUPAC2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine
SMILESCCCCNc1cc(NCCCC)c2c(n1)[nH]c1ccccc12
InChIInChI=1S/C19H26N4/c1-3-5-11-20-16-13-17(21-12-6-4-2)23-19-18(16)14-9-7-8-10-15(14)22-19/h7-10,13H,3-6,11-12H2,1-2H3,(H3,20,21,22,23)
InChIKeyUIJRRGYMZOWZKE-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.14
Rot. Bonds8

About 2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine

2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine (PubChem CID 44523219) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine
PubChem CID44523219
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine
SMILESCCCCNc1cc(NCCCC)c2c(n1)[nH]c1ccccc12
InChIInChI=1S/C19H26N4/c1-3-5-11-20-16-13-17(21-12-6-4-2)23-19-18(16)14-9-7-8-10-15(14)22-19/h7-10,13H,3-6,11-12H2,1-2H3,(H3,20,21,22,23)
InChIKeyUIJRRGYMZOWZKE-UHFFFAOYSA-N
XLogP5.14
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.14
H-Bond Donors ≤ 53
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 2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine?
The IUPAC name of 2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine (CID 44523219) is 2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine is CCCCNc1cc(NCCCC)c2c(n1)[nH]c1ccccc12.
What is the InChIKey of 2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine?
The InChIKey is UIJRRGYMZOWZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-3-5-11-20-16-13-17(21-12-6-4-2)23-19-18(16)14-9-7-8-10-15(14)22-19/h7-10,13H,3-6,11-12H2,1-2H3,(H3,20,21,22,23).
What are the key properties of 2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine?
2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine has a molecular weight of 310.44 g/mol, XLogP of 5.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-9H-pyrido[2,3-b]indole-2,4-diamine is sourced from PubChem (CID 44523219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).