5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide

C21H20N4O — CID 109290481

IUPAC5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N3CCc4ccccc43)cn2)cc1C
InChIInChI=1S/C21H20N4O/c1-14-7-8-17(11-15(14)2)24-21(26)18-12-23-20(13-22-18)25-10-9-16-5-3-4-6-19(16)25/h3-8,11-13H,9-10H2,1-2H3,(H,24,26)
InChIKeyJCIZIERPNRITRO-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.04
Rot. Bonds3

About 5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide

5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109290481) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109290481
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N3CCc4ccccc43)cn2)cc1C
InChIInChI=1S/C21H20N4O/c1-14-7-8-17(11-15(14)2)24-21(26)18-12-23-20(13-22-18)25-10-9-16-5-3-4-6-19(16)25/h3-8,11-13H,9-10H2,1-2H3,(H,24,26)
InChIKeyJCIZIERPNRITRO-UHFFFAOYSA-N
XLogP4.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109290512
5-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109290486
N-(3-chloro-4-methylphenyl)-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109162396
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109290679
5-(2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280007
5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290489
N-cyclopentyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109273970
N-(3,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286623
N-cyclohexyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109274719
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109290660
5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277176
5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280543

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide (CID 109290481) is 5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(N3CCc4ccccc43)cn2)cc1C.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is JCIZIERPNRITRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-7-8-17(11-15(14)2)24-21(26)18-12-23-20(13-22-18)25-10-9-16-5-3-4-6-19(16)25/h3-8,11-13H,9-10H2,1-2H3,(H,24,26).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide?
5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).