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

C18H22N4O — CID 109287320

IUPACN-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
SMILESCC1Cc2ccccc2N1c1cnc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C18H22N4O/c1-12-9-13-7-5-6-8-15(13)22(12)16-11-19-14(10-20-16)17(23)21-18(2,3)4/h5-8,10-12H,9H2,1-4H3,(H,21,23)
InChIKeyUBPXGHLERZZAKO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.09
Rot. Bonds2

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

N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide (PubChem CID 109287320) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
PubChem CID109287320
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
SMILESCC1Cc2ccccc2N1c1cnc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C18H22N4O/c1-12-9-13-7-5-6-8-15(13)22(12)16-11-19-14(10-20-16)17(23)21-18(2,3)4/h5-8,10-12H,9H2,1-4H3,(H,21,23)
InChIKeyUBPXGHLERZZAKO-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109287538
N-tert-butyl-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109373876
N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109294117
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-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292034
5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280070
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-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109284771
N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridin-3-amine
CID 82104336
N-(2-hydroxyethyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84570683
N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278299

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide (CID 109287320) is N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide is CC1Cc2ccccc2N1c1cnc(C(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide?
The InChIKey is UBPXGHLERZZAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-9-13-7-5-6-8-15(13)22(12)16-11-19-14(10-20-16)17(23)21-18(2,3)4/h5-8,10-12H,9H2,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide?
N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).