4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane

C25H36N4 — CID 158933310

IUPAC4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane
SMILESC.Cc1ccc2c(c1)c1c(n2CC(CCN(C)C)c2ccncc2)CCN(C)C1
InChIInChI=1S/C24H32N4.CH4/c1-18-5-6-23-21(15-18)22-17-27(4)14-10-24(22)28(23)16-20(9-13-26(2)3)19-7-11-25-12-8-19;/h5-8,11-12,15,20H,9-10,13-14,16-17H2,1-4H3;1H4
InChIKeyJJILFPKZIOCNJM-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.70
Rot. Bonds6

About 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane

4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane (PubChem CID 158933310) has the molecular formula C25H36N4 and a molecular weight of 392.59 g/mol. Its IUPAC name is 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane.

Molecular Properties

Compound Name4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane
PubChem CID158933310
Molecular FormulaC25H36N4
Molecular Weight392.59 g/mol
Exact Mass392.29
IUPAC Name4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane
SMILESC.Cc1ccc2c(c1)c1c(n2CC(CCN(C)C)c2ccncc2)CCN(C)C1
InChIInChI=1S/C24H32N4.CH4/c1-18-5-6-23-21(15-18)22-17-27(4)14-10-24(22)28(23)16-20(9-13-26(2)3)19-7-11-25-12-8-19;/h5-8,11-12,15,20H,9-10,13-14,16-17H2,1-4H3;1H4
InChIKeyJJILFPKZIOCNJM-UHFFFAOYSA-N
XLogP4.70
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane 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

5-(5,5-dimethyl-2-pyridin-4-ylhexyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 151443430
3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide
CID 71275661
tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;methane
CID 158497005
N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane
CID 162051484
[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] pyrrolidine-1-carboxylate
CID 73297061
(E)-4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethoxy]but-2-enoic acid
CID 90042707
2,8-dimethyl-5-(2-methylsulfonyl-2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;methane
CID 158396188
2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 71007544
2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenyl-1-pyridin-4-ylethanol
CID 50943981
5-(2-cyclohexa-1,3-dien-1-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 143825900
2,8-dimethyl-5-[(E)-2-pyridin-4-ylbut-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455070
2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
CID 71275252

Frequently Asked Questions

What is the IUPAC name of 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane?
The IUPAC name of 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane (CID 158933310) is 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane.
What is the SMILES notation for 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane?
The canonical SMILES for 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane is C.Cc1ccc2c(c1)c1c(n2CC(CCN(C)C)c2ccncc2)CCN(C)C1.
What is the InChIKey of 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane?
The InChIKey is JJILFPKZIOCNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4.CH4/c1-18-5-6-23-21(15-18)22-17-27(4)14-10-24(22)28(23)16-20(9-13-26(2)3)19-7-11-25-12-8-19;/h5-8,11-12,15,20H,9-10,13-14,16-17H2,1-4H3;1H4.
What are the key properties of 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane?
4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane has a molecular weight of 392.59 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-3-pyridin-4-ylbutan-1-amine;methane is sourced from PubChem (CID 158933310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).