1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine

C13H13N3 — CID 5284474

IUPAC1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine
SMILESCc1c(N)nc(C)c2c1[nH]c1ccccc12
InChIInChI=1S/C13H13N3/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12/h3-6,16H,1-2H3,(H2,14,15)
InChIKeyLVTKHGUGBGNBPL-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.92
Rot. Bonds

About 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine

1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine (PubChem CID 5284474) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine.

Molecular Properties

Compound Name1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine
PubChem CID5284474
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine
SMILESCc1c(N)nc(C)c2c1[nH]c1ccccc12
InChIInChI=1S/C13H13N3/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12/h3-6,16H,1-2H3,(H2,14,15)
InChIKeyLVTKHGUGBGNBPL-UHFFFAOYSA-N
XLogP2.92
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine?
The IUPAC name of 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine (CID 5284474) is 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine.
What is the SMILES notation for 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine?
The canonical SMILES for 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine is Cc1c(N)nc(C)c2c1[nH]c1ccccc12.
What is the InChIKey of 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine?
The InChIKey is LVTKHGUGBGNBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12/h3-6,16H,1-2H3,(H2,14,15).
What are the key properties of 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine?
1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine has a molecular weight of 211.27 g/mol, XLogP of 2.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine is sourced from PubChem (CID 5284474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).