methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate

C22H20N4O3 — CID 109294195

IUPACmethyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnc(N3c4ccccc4CC3C)cn2)c1
InChIInChI=1S/C22H20N4O3/c1-14-10-15-6-3-4-9-19(15)26(14)20-13-23-18(12-24-20)21(27)25-17-8-5-7-16(11-17)22(28)29-2/h3-9,11-14H,10H2,1-2H3,(H,25,27)
InChIKeyLUIHWRBUXAKQHS-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.60
Rot. Bonds4

About methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate

methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109294195) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109294195
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Namemethyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnc(N3c4ccccc4CC3C)cn2)c1
InChIInChI=1S/C22H20N4O3/c1-14-10-15-6-3-4-9-19(15)26(14)20-13-23-18(12-24-20)21(27)25-17-8-5-7-16(11-17)22(28)29-2/h3-9,11-14H,10H2,1-2H3,(H,25,27)
InChIKeyLUIHWRBUXAKQHS-UHFFFAOYSA-N
XLogP3.60
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(3-acetylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109294041
N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109294117
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292034
N-(2-methoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109293406
methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
CID 109274586
N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109287320
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109288853
methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109178653
N-cycloheptyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109287538
methyl 3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazin-2-yl]amino]benzoate
CID 109294208
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109284771

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate (CID 109294195) is methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2cnc(N3c4ccccc4CC3C)cn2)c1.
What is the InChIKey of methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is LUIHWRBUXAKQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-10-15-6-3-4-9-19(15)26(14)20-13-23-18(12-24-20)21(27)25-17-8-5-7-16(11-17)22(28)29-2/h3-9,11-14H,10H2,1-2H3,(H,25,27).
What are the key properties of methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate?
methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 388.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109294195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).