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

C23H24N4O2 — CID 109284771

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(N3c4ccccc4CC3C)cn2)c1
InChIInChI=1S/C23H24N4O2/c1-16-12-18-7-3-4-9-21(18)27(16)22-15-25-20(14-26-22)23(28)24-11-10-17-6-5-8-19(13-17)29-2/h3-9,13-16H,10-12H2,1-2H3,(H,24,28)
InChIKeyNVTOSAJGUCUCJW-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.54
Rot. Bonds6

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

N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide (PubChem CID 109284771) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
PubChem CID109284771
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(N3c4ccccc4CC3C)cn2)c1
InChIInChI=1S/C23H24N4O2/c1-16-12-18-7-3-4-9-21(18)27(16)22-15-25-20(14-26-22)23(28)24-11-10-17-6-5-8-19(13-17)29-2/h3-9,13-16H,10-12H2,1-2H3,(H,24,28)
InChIKeyNVTOSAJGUCUCJW-UHFFFAOYSA-N
XLogP3.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109122562
N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276597
5-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109278597
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 84570544
N-(2-methoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109293406
5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280070
N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109294117
N-(3-acetylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109294041
[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109158916
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192060
5-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189231
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide (CID 109284771) is N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide is COc1cccc(CCNC(=O)c2cnc(N3c4ccccc4CC3C)cn2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide?
The InChIKey is NVTOSAJGUCUCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-12-18-7-3-4-9-21(18)27(16)22-15-25-20(14-26-22)23(28)24-11-10-17-6-5-8-19(13-17)29-2/h3-9,13-16H,10-12H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109284771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).