N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide

C21H22N4O — CID 109290311

IUPACN-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(N(C)c2ccccc2)cn1
InChIInChI=1S/C21H22N4O/c1-4-16-10-8-9-15(2)20(16)24-21(26)18-13-23-19(14-22-18)25(3)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyDXKAYQJEEBFWRP-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.37
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide

N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide (PubChem CID 109290311) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
PubChem CID109290311
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(N(C)c2ccccc2)cn1
InChIInChI=1S/C21H22N4O/c1-4-16-10-8-9-15(2)20(16)24-21(26)18-13-23-19(14-22-18)25(3)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyDXKAYQJEEBFWRP-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
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
N-(2-ethyl-6-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 8761786
5-(N-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289424
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109285416
N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290357
N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290333
N-(2,6-diethylphenyl)-5-methylpyrazine-2-carboxamide
CID 17441034
N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287079
5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291880
5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290312
5-(N-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283821
N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109289933

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide (CID 109290311) is N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide is CCc1cccc(C)c1NC(=O)c1cnc(N(C)c2ccccc2)cn1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide?
The InChIKey is DXKAYQJEEBFWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-16-10-8-9-15(2)20(16)24-21(26)18-13-23-19(14-22-18)25(3)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide?
N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).