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

C26H36N4O — CID 162051484

IUPACN-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane
SMILESC.Cc1ccc2c(c1)c1c(n2CC(C(=O)NC(C)(C)C)c2ccncc2)CCN(C)C1
InChIInChI=1S/C25H32N4O.CH4/c1-17-6-7-22-19(14-17)21-15-28(5)13-10-23(21)29(22)16-20(18-8-11-26-12-9-18)24(30)27-25(2,3)4;/h6-9,11-12,14,20H,10,13,15-16H2,1-5H3,(H,27,30);1H4
InChIKeyYYPJKMOGVKRFQY-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.67
Rot. Bonds4

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

N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane (PubChem CID 162051484) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane.

Molecular Properties

Compound NameN-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane
PubChem CID162051484
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC NameN-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane
SMILESC.Cc1ccc2c(c1)c1c(n2CC(C(=O)NC(C)(C)C)c2ccncc2)CCN(C)C1
InChIInChI=1S/C25H32N4O.CH4/c1-17-6-7-22-19(14-17)21-15-28(5)13-10-23(21)29(22)16-20(18-8-11-26-12-9-18)24(30)27-25(2,3)4;/h6-9,11-12,14,20H,10,13,15-16H2,1-5H3,(H,27,30);1H4
InChIKeyYYPJKMOGVKRFQY-UHFFFAOYSA-N
XLogP4.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;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

tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;methane
CID 158497005
3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide
CID 71275661
5-(5,5-dimethyl-2-pyridin-4-ylhexyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 151443430
[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] pyrrolidine-1-carboxylate
CID 73297061
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
(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-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 71007544
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-phenyl-1-pyridin-4-ylethanol
CID 50943981
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
2-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-1-pyridin-4-ylethanol
CID 59368152

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane?
The IUPAC name of 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) is N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane.
What is the SMILES notation for N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane?
The canonical SMILES for N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane is C.Cc1ccc2c(c1)c1c(n2CC(C(=O)NC(C)(C)C)c2ccncc2)CCN(C)C1.
What is the InChIKey of N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane?
The InChIKey is YYPJKMOGVKRFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O.CH4/c1-17-6-7-22-19(14-17)21-15-28(5)13-10-23(21)29(22)16-20(18-8-11-26-12-9-18)24(30)27-25(2,3)4;/h6-9,11-12,14,20H,10,13,15-16H2,1-5H3,(H,27,30);1H4.
What are the key properties of N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane?
N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane has a molecular weight of 420.60 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane is sourced from PubChem (CID 162051484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).