N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide

C22H21N5O2 — CID 109294117

IUPACN-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cnc(N3c4ccccc4CC3C)cn2)c1
InChIInChI=1S/C22H21N5O2/c1-14-10-16-6-3-4-9-20(16)27(14)21-13-23-19(12-24-21)22(29)26-18-8-5-7-17(11-18)25-15(2)28/h3-9,11-14H,10H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWPWQGMOBFMYLKE-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.77
Rot. Bonds4

About N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide

N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide (PubChem CID 109294117) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
PubChem CID109294117
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cnc(N3c4ccccc4CC3C)cn2)c1
InChIInChI=1S/C22H21N5O2/c1-14-10-16-6-3-4-9-20(16)27(14)21-13-23-19(12-24-21)22(29)26-18-8-5-7-17(11-18)25-15(2)28/h3-9,11-14H,10H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWPWQGMOBFMYLKE-UHFFFAOYSA-N
XLogP3.77
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109294041
methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109294195
N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109129886
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292034
N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109287320
N-(2-methoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109293406
N-cycloheptyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109287538
5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280070
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109284771
N-(3,4-difluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109130264
5-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyridine-3-carboxamide
CID 109241516
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109197843

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide (CID 109294117) is N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cnc(N3c4ccccc4CC3C)cn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide?
The InChIKey is WPWQGMOBFMYLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-10-16-6-3-4-9-20(16)27(14)21-13-23-19(12-24-21)22(29)26-18-8-5-7-17(11-18)25-15(2)28/h3-9,11-14H,10H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide?
N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109294117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).