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

C21H22N4O — CID 109291158

IUPAC5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2cc(C)cc(C)c2)cn1
InChIInChI=1S/C21H22N4O/c1-4-16-7-5-6-8-18(16)25-21(26)19-12-23-20(13-22-19)24-17-10-14(2)9-15(3)11-17/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyOACUNUJRAVBBRW-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.65
Rot. Bonds5

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

5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide (PubChem CID 109291158) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
PubChem CID109291158
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2cc(C)cc(C)c2)cn1
InChIInChI=1S/C21H22N4O/c1-4-16-7-5-6-8-18(16)25-21(26)19-12-23-20(13-22-19)24-17-10-14(2)9-15(3)11-17/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyOACUNUJRAVBBRW-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromoanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291484
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406
N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109291498
5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109290834
N-(2-ethylphenyl)-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109291492
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291518
N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109289933
5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109272633
N-(2-cyanophenyl)-5-(2-ethylanilino)pyrazine-2-carboxamide
CID 109291580
ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109290006
5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide (CID 109291158) is 5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide is CCc1ccccc1NC(=O)c1cnc(Nc2cc(C)cc(C)c2)cn1.
What is the InChIKey of 5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
The InChIKey is OACUNUJRAVBBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-16-7-5-6-8-18(16)25-21(26)19-12-23-20(13-22-19)24-17-10-14(2)9-15(3)11-17/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
5-(3,5-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-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109291158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).