5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide

C21H22N4O — CID 109290312

IUPAC5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(N(C)c2ccccc2)cn1
InChIInChI=1S/C21H22N4O/c1-15(2)17-11-7-8-12-18(17)24-21(26)19-13-23-20(14-22-19)25(3)16-9-5-4-6-10-16/h4-15H,1-3H3,(H,24,26)
InChIKeyILYKFXNUXQHMDT-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.62
Rot. Bonds5

About 5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide

5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109290312) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109290312
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(N(C)c2ccccc2)cn1
InChIInChI=1S/C21H22N4O/c1-15(2)17-11-7-8-12-18(17)24-21(26)19-13-23-20(14-22-19)25(3)16-9-5-4-6-10-16/h4-15H,1-3H3,(H,24,26)
InChIKeyILYKFXNUXQHMDT-UHFFFAOYSA-N
XLogP4.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(N-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290316
5-(N-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289424
2-methyl-6-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112848488
2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314197
N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290357
5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 63724718
N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290333
5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109196630
N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290311
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
5-(N-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283821
5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109287909

Frequently Asked Questions

What is the IUPAC name of 5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109290312) is 5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide is CC(C)c1ccccc1NC(=O)c1cnc(N(C)c2ccccc2)cn1.
What is the InChIKey of 5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is ILYKFXNUXQHMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15(2)17-11-7-8-12-18(17)24-21(26)19-13-23-20(14-22-19)25(3)16-9-5-4-6-10-16/h4-15H,1-3H3,(H,24,26).
What are the key properties of 5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).