5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide

C21H20N4O — CID 109280543

IUPAC5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(N3CCc4ccccc43)cn2)cc1
InChIInChI=1S/C21H20N4O/c1-15-6-8-16(9-7-15)12-24-21(26)18-13-23-20(14-22-18)25-11-10-17-4-2-3-5-19(17)25/h2-9,13-14H,10-12H2,1H3,(H,24,26)
InChIKeyNUXJILOJTFSJTF-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.41
Rot. Bonds4

About 5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide

5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109280543) 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-[(4-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109280543
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(N3CCc4ccccc43)cn2)cc1
InChIInChI=1S/C21H20N4O/c1-15-6-8-16(9-7-15)12-24-21(26)18-13-23-20(14-22-18)25-11-10-17-4-2-3-5-19(17)25/h2-9,13-14H,10-12H2,1H3,(H,24,26)
InChIKeyNUXJILOJTFSJTF-UHFFFAOYSA-N
XLogP3.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282417
5-(2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280007
6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369066
4-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210448
5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277176
5-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284439
5-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109290486
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283260
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416
5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290481
N-cyclopentyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109273970
5-(2,3-dihydroindol-1-yl)-N,N-dipropylpyrazine-2-carboxamide
CID 109288910

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide (CID 109280543) is 5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide is Cc1ccc(CNC(=O)c2cnc(N3CCc4ccccc43)cn2)cc1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is NUXJILOJTFSJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-6-8-16(9-7-15)12-24-21(26)18-13-23-20(14-22-18)25-11-10-17-4-2-3-5-19(17)25/h2-9,13-14H,10-12H2,1H3,(H,24,26).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.41, 4 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-[(4-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109280543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).