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

C13H13N3 — CID 101081692

IUPAC1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine
SMILESCc1nc(N)c(C)c2c1=NC1=CC=CCC=21
InChIInChI=1S/C13H13N3/c1-7-11-9-5-3-4-6-10(9)16-12(11)8(2)15-13(7)14/h3-4,6H,5,14H2,1-2H3
InChIKeyHSBQFNFZUOXKRZ-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.91
Rot. Bonds

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

1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine (PubChem CID 101081692) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound Name1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine
PubChem CID101081692
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine
SMILESCc1nc(N)c(C)c2c1=NC1=CC=CCC=21
InChIInChI=1S/C13H13N3/c1-7-11-9-5-3-4-6-10(9)16-12(11)8(2)15-13(7)14/h3-4,6H,5,14H2,1-2H3
InChIKeyHSBQFNFZUOXKRZ-UHFFFAOYSA-N
XLogP0.91
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-9H-pyrido[4,3-b]indole
CID 15897930
4H-Carbazole
CID 19360791
2,3,4,5-tetrahydro-1H-carbazole
CID 22592025
Dihydroindolo[3,2-b]carbazole
CID 69944640
4-Methyl-2-(4-methylcyclopenta[b]pyridin-2-ylidene)cyclopenta[b]pyridine
CID 11250719
3-Amino-1-methyl-5h-pyrido[3,4-b]indole
CID 101206933
Diethylindoloindole
CID 129682394
2,2-Dimethylcarbazole
CID 18471893
2,4-dimethyl-5H-pyrimido[4,5-b]indole
CID 19067856
2,2-Dimethylbenzimidazol-4-amine
CID 20537722
2,2-Dimethylindol-5-amine
CID 21446371
Cyclopenta[c]carbazole
CID 21887219

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of 1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine (CID 101081692) is 1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for 1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for 1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine is Cc1nc(N)c(C)c2c1=NC1=CC=CCC=21.
What is the InChIKey of 1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine?
The InChIKey is HSBQFNFZUOXKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-7-11-9-5-3-4-6-10(9)16-12(11)8(2)15-13(7)14/h3-4,6H,5,14H2,1-2H3.
What are the key properties of 1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine?
1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine has a molecular weight of 211.27 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 101081692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).