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

C21H22N4O — CID 109290010

IUPACN-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2cccc(C)c2)cn1)c1cccc(C)c1
InChIInChI=1S/C21H22N4O/c1-4-25(18-10-6-8-16(3)12-18)21(26)19-13-23-20(14-22-19)24-17-9-5-7-15(2)11-17/h5-14H,4H2,1-3H3,(H,23,24)
InChIKeyLGYBHEPCEVVULA-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.50
Rot. Bonds5

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

N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109290010) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
PubChem CID109290010
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2cccc(C)c2)cn1)c1cccc(C)c1
InChIInChI=1S/C21H22N4O/c1-4-25(18-10-6-8-16(3)12-18)21(26)19-13-23-20(14-22-19)24-17-9-5-7-15(2)11-17/h5-14H,4H2,1-3H3,(H,23,24)
InChIKeyLGYBHEPCEVVULA-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloroanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109292815
N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271148
5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109287454
N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271545
N-ethyl-5-(3-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291751
5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109293352
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070
N-ethyl-5-(4-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291715
5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289883
6-[4-(dimethylamino)anilino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109164676
5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291773

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide (CID 109290010) is N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide is CCN(C(=O)c1cnc(Nc2cccc(C)c2)cn1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is LGYBHEPCEVVULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-25(18-10-6-8-16(3)12-18)21(26)19-13-23-20(14-22-19)24-17-9-5-7-15(2)11-17/h5-14H,4H2,1-3H3,(H,23,24).
What are the key properties of N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).