N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide

C25H30N4O — CID 25097528

IUPACN-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCC1CCc2c(cc(-c3cccnc3)n2-c2ccc(C(=O)NCCN(C)C)cc2)C1
InChIInChI=1S/C25H30N4O/c1-18-6-11-23-21(15-18)16-24(20-5-4-12-26-17-20)29(23)22-9-7-19(8-10-22)25(30)27-13-14-28(2)3/h4-5,7-10,12,16-18H,6,11,13-15H2,1-3H3,(H,27,30)
InChIKeyKXRJAHSJMRAMPH-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.96
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide

N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide (PubChem CID 25097528) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide
PubChem CID25097528
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCC1CCc2c(cc(-c3cccnc3)n2-c2ccc(C(=O)NCCN(C)C)cc2)C1
InChIInChI=1S/C25H30N4O/c1-18-6-11-23-21(15-18)16-24(20-5-4-12-26-17-20)29(23)22-9-7-19(8-10-22)25(30)27-13-14-28(2)3/h4-5,7-10,12,16-18H,6,11,13-15H2,1-3H3,(H,27,30)
InChIKeyKXRJAHSJMRAMPH-UHFFFAOYSA-N
XLogP3.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 20908838
(3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 92752193
N-[3-(dipropylamino)propyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 22521989
N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916098
N-[4-[[(2R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-pyridin-3-ylbenzamide
CID 18396595
1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
CID 174835202
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide
CID 134805021
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
CID 91804668
4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 59186261
N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
CID 21361607

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide (CID 25097528) is N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide is CC1CCc2c(cc(-c3cccnc3)n2-c2ccc(C(=O)NCCN(C)C)cc2)C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The InChIKey is KXRJAHSJMRAMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-18-6-11-23-21(15-18)16-24(20-5-4-12-26-17-20)29(23)22-9-7-19(8-10-22)25(30)27-13-14-28(2)3/h4-5,7-10,12,16-18H,6,11,13-15H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide has a molecular weight of 402.54 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide is sourced from PubChem (CID 25097528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).