5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide

C21H22N4O — CID 109291406

IUPAC5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2cccc(C)c2C)cn1
InChIInChI=1S/C21H22N4O/c1-4-16-9-5-6-10-18(16)25-21(26)19-12-23-20(13-22-19)24-17-11-7-8-14(2)15(17)3/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeySLFAXAZHYHBYGO-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.65
Rot. Bonds5

About 5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide

5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide (PubChem CID 109291406) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
PubChem CID109291406
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2cccc(C)c2C)cn1
InChIInChI=1S/C21H22N4O/c1-4-16-9-5-6-10-18(16)25-21(26)19-12-23-20(13-22-19)24-17-11-7-8-14(2)15(17)3/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeySLFAXAZHYHBYGO-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

N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109291424
5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291158
5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109291428
5-(4-bromoanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291484
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291518
5-(2-ethylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109291574
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290118
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
N-(2-cyanophenyl)-5-(2-ethylanilino)pyrazine-2-carboxamide
CID 109291580

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide (CID 109291406) is 5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide is CCc1ccccc1NC(=O)c1cnc(Nc2cccc(C)c2C)cn1.
What is the InChIKey of 5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
The InChIKey is SLFAXAZHYHBYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-16-9-5-6-10-18(16)25-21(26)19-12-23-20(13-22-19)24-17-11-7-8-14(2)15(17)3/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)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 5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109291406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).