5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide

C21H22N4O2 — CID 109291428

IUPAC5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(Nc3cccc(C)c3C)cn2)cc1
InChIInChI=1S/C21H22N4O2/c1-4-27-17-10-8-16(9-11-17)24-21(26)19-12-23-20(13-22-19)25-18-7-5-6-14(2)15(18)3/h5-13H,4H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyOVCNZPPDMQMGEO-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.49
Rot. Bonds6

About 5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide

5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109291428) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
PubChem CID109291428
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(Nc3cccc(C)c3C)cn2)cc1
InChIInChI=1S/C21H22N4O2/c1-4-27-17-10-8-16(9-11-17)24-21(26)19-12-23-20(13-22-19)25-18-7-5-6-14(2)15(18)3/h5-13H,4H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyOVCNZPPDMQMGEO-UHFFFAOYSA-N
XLogP4.49
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289463
5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293739
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406
N-(4-methoxyphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289766
N-(4-ethoxyphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109293614
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290118
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide
CID 109293760
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109291424
N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109162787
5-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293748

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide (CID 109291428) is 5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide is CCOc1ccc(NC(=O)c2cnc(Nc3cccc(C)c3C)cn2)cc1.
What is the InChIKey of 5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is OVCNZPPDMQMGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-27-17-10-8-16(9-11-17)24-21(26)19-12-23-20(13-22-19)25-18-7-5-6-14(2)15(18)3/h5-13H,4H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide?
5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109291428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).