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

C22H24N4O — CID 109280082

IUPAC5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCCN(c1cccc(C)c1)c1cnc(C(=O)NCc2ccccc2C)cn1
InChIInChI=1S/C22H24N4O/c1-4-26(19-11-7-8-16(2)12-19)21-15-23-20(14-24-21)22(27)25-13-18-10-6-5-9-17(18)3/h5-12,14-15H,4,13H2,1-3H3,(H,25,27)
InChIKeyKHIHVHWYKDWHBH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.18
Rot. Bonds6

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

5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109280082) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109280082
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCCN(c1cccc(C)c1)c1cnc(C(=O)NCc2ccccc2C)cn1
InChIInChI=1S/C22H24N4O/c1-4-26(19-11-7-8-16(2)12-19)21-15-23-20(14-24-21)22(27)25-13-18-10-6-5-9-17(18)3/h5-12,14-15H,4,13H2,1-3H3,(H,25,27)
InChIKeyKHIHVHWYKDWHBH-UHFFFAOYSA-N
XLogP4.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(N-ethyl-3-methylanilino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280618
5-(N-ethyl-3-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283898
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide
CID 109294256
5-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190248
6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369741
6-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120151
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
5-N-ethyl-5-N-(3-methylphenyl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105164
2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256997
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
5-(N-ethyl-3-methylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181194

Frequently Asked Questions

What is the IUPAC name of 5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (CID 109280082) is 5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is CCN(c1cccc(C)c1)c1cnc(C(=O)NCc2ccccc2C)cn1.
What is the InChIKey of 5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is KHIHVHWYKDWHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(19-11-7-8-16(2)12-19)21-15-23-20(14-24-21)22(27)25-13-18-10-6-5-9-17(18)3/h5-12,14-15H,4,13H2,1-3H3,(H,25,27).
What are the key properties of 5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109280082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).