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

C23H23N5O — CID 109285640

IUPAC5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(C)c(Nc2cnc(C(=O)NCCc3c[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C23H23N5O/c1-15-7-8-16(2)20(11-15)28-22-14-26-21(13-27-22)23(29)24-10-9-17-12-25-19-6-4-3-5-18(17)19/h3-8,11-14,25H,9-10H2,1-2H3,(H,24,29)(H,27,28)
InChIKeyMCWBDXMVABFITI-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.29
Rot. Bonds6

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

5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 109285640) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID109285640
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(C)c(Nc2cnc(C(=O)NCCc3c[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C23H23N5O/c1-15-7-8-16(2)20(11-15)28-22-14-26-21(13-27-22)23(29)24-10-9-17-12-25-19-6-4-3-5-18(17)19/h3-8,11-14,25H,9-10H2,1-2H3,(H,24,29)(H,27,28)
InChIKeyMCWBDXMVABFITI-UHFFFAOYSA-N
XLogP4.29
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352254
N-[2-(1H-indol-3-yl)ethyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 109159746
5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280515
2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109261245
5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285624
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109281831
5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284865
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109261239
5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284737
5-(2,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282974
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352258

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (CID 109285640) is 5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is Cc1ccc(C)c(Nc2cnc(C(=O)NCCc3c[nH]c4ccccc34)cn2)c1.
What is the InChIKey of 5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is MCWBDXMVABFITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-7-8-16(2)20(11-15)28-22-14-26-21(13-27-22)23(29)24-10-9-17-12-25-19-6-4-3-5-18(17)19/h3-8,11-14,25H,9-10H2,1-2H3,(H,24,29)(H,27,28).
What are the key properties of 5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109285640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).