6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C18H19N3 — CID 3651174

IUPAC6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCc1cc(C)c2[nH]c3c(c2c1)CCNC3c1ccccn1
InChIInChI=1S/C18H19N3/c1-11-9-12(2)16-14(10-11)13-6-8-20-18(17(13)21-16)15-5-3-4-7-19-15/h3-5,7,9-10,18,20-21H,6,8H2,1-2H3
InChIKeyYIDUKGGSKMBHRV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.41
Rot. Bonds1

About 6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 3651174) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID3651174
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCc1cc(C)c2[nH]c3c(c2c1)CCNC3c1ccccn1
InChIInChI=1S/C18H19N3/c1-11-9-12(2)16-14(10-11)13-6-8-20-18(17(13)21-16)15-5-3-4-7-19-15/h3-5,7,9-10,18,20-21H,6,8H2,1-2H3
InChIKeyYIDUKGGSKMBHRV-UHFFFAOYSA-N
XLogP3.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole 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-(3-bromophenyl)-6,8-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3980895
1-(2,5-dichlorophenyl)-6,8-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4280171
6-ethoxy-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4234860
8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 82495185
1-(3-bromo-5-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5194964
1-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine
CID 84630510
7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 54509971
6-ethoxy-1-(3-methyl-2-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4262254
1-(2-iodophenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3953952
7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole
CID 84622011
2-[(2R)-azetidin-2-yl]pyridine;hydrochloride
CID 171197160
2-(2,4,6-trimethylphenyl)iodanuidylpyridine
CID 156707211

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 3651174) is 6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is Cc1cc(C)c2[nH]c3c(c2c1)CCNC3c1ccccn1.
What is the InChIKey of 6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is YIDUKGGSKMBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-11-9-12(2)16-14(10-11)13-6-8-20-18(17(13)21-16)15-5-3-4-7-19-15/h3-5,7,9-10,18,20-21H,6,8H2,1-2H3.
What are the key properties of 6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 277.37 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 3651174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).