N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide

C21H22N4O — CID 109289933

IUPACN-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(C)c2)cn1
InChIInChI=1S/C21H22N4O/c1-4-16-9-6-8-15(3)20(16)25-21(26)18-12-23-19(13-22-18)24-17-10-5-7-14(2)11-17/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyXPEXMDYBZWFODQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.65
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide

N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide (PubChem CID 109289933) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
PubChem CID109289933
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(C)c2)cn1
InChIInChI=1S/C21H22N4O/c1-4-16-9-6-8-15(3)20(16)25-21(26)18-12-23-19(13-22-18)24-17-10-5-7-14(2)11-17/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyXPEXMDYBZWFODQ-UHFFFAOYSA-N
XLogP4.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291880
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
N-(2-ethyl-6-methylphenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109291856
5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109292172
N-(2-ethyl-6-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 8761786
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291850
5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291158
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289883
ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109290006

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide (CID 109289933) is N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide is CCc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(C)c2)cn1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide?
The InChIKey is XPEXMDYBZWFODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-16-9-6-8-15(3)20(16)25-21(26)18-12-23-19(13-22-18)24-17-10-5-7-14(2)11-17/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide?
N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109289933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).