N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide

C23H21N3O — CID 44587808

IUPACN-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide
SMILESCN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C23H21N3O/c1-26(15-12-20-16-25-22-5-3-2-4-21(20)22)23(27)19-8-6-17(7-9-19)18-10-13-24-14-11-18/h2-11,13-14,16,25H,12,15H2,1H3
InChIKeyNMGNSIMSXTWPBG-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.54
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide

N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide (PubChem CID 44587808) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide
PubChem CID44587808
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide
SMILESCN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C23H21N3O/c1-26(15-12-20-16-25-22-5-3-2-4-21(20)22)23(27)19-8-6-17(7-9-19)18-10-13-24-14-11-18/h2-11,13-14,16,25H,12,15H2,1H3
InChIKeyNMGNSIMSXTWPBG-UHFFFAOYSA-N
XLogP4.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 11493048
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985537
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173085
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
CID 110749017
N-[2-(1H-indol-3-yl)ethyl]benzohydrazide
CID 151440969
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide
CID 113083988
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
CID 110733076
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
CID 115174014

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide (CID 44587808) is N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide is CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide?
The InChIKey is NMGNSIMSXTWPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-26(15-12-20-16-25-22-5-3-2-4-21(20)22)23(27)19-8-6-17(7-9-19)18-10-13-24-14-11-18/h2-11,13-14,16,25H,12,15H2,1H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide?
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 44587808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).