N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide

C22H21N5O — CID 109285636

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide
SMILESCN(c1ccccc1)c1cnc(C(=O)NCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C22H21N5O/c1-27(17-7-3-2-4-8-17)21-15-25-20(14-26-21)22(28)23-12-11-16-13-24-19-10-6-5-9-18(16)19/h2-10,13-15,24H,11-12H2,1H3,(H,23,28)
InChIKeyRECRSWLMSFREJV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.70
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide (PubChem CID 109285636) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide
PubChem CID109285636
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide
SMILESCN(c1ccccc1)c1cnc(C(=O)NCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C22H21N5O/c1-27(17-7-3-2-4-8-17)21-15-25-20(14-26-21)22(28)23-12-11-16-13-24-19-10-6-5-9-18(16)19/h2-10,13-15,24H,11-12H2,1H3,(H,23,28)
InChIKeyRECRSWLMSFREJV-UHFFFAOYSA-N
XLogP3.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide 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-(N-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283821
N-[2-(4-chlorophenyl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285784
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088496
6-[benzyl(methyl)amino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109156275
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
N-[2-(dimethylamino)ethyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109185316
5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285624
5-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109279191
6-N-[2-(dimethylamino)ethyl]-2-N-[2-(1H-indol-3-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109096308
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide
CID 47047959
5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285640

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide (CID 109285636) is N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide is CN(c1ccccc1)c1cnc(C(=O)NCCc2c[nH]c3ccccc23)cn1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide?
The InChIKey is RECRSWLMSFREJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-27(17-7-3-2-4-8-17)21-15-25-20(14-26-21)22(28)23-12-11-16-13-24-19-10-6-5-9-18(16)19/h2-10,13-15,24H,11-12H2,1H3,(H,23,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109285636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).