5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide

C21H22N4O2 — CID 46830096

IUPAC5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1
InChIInChI=1S/C21H22N4O2/c1-5-25(16-9-10-20(27-4)24-11-16)21(26)19-13-22-18(12-23-19)17-8-6-7-14(2)15(17)3/h6-13H,5H2,1-4H3
InChIKeyNSJAQLDCCBDFPD-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.83
Rot. Bonds5

About 5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide

5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide (PubChem CID 46830096) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide
PubChem CID46830096
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1
InChIInChI=1S/C21H22N4O2/c1-5-25(16-9-10-20(27-4)24-11-16)21(26)19-13-22-18(12-23-19)17-8-6-7-14(2)15(17)3/h6-13H,5H2,1-4H3
InChIKeyNSJAQLDCCBDFPD-UHFFFAOYSA-N
XLogP3.83
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 73335441
CID 73335441
CID 10216322
CID 10216322
CID 9970023
CID 9970023
CID 142469552
CID 142469552
CID 3240701
CID 3240701
CID 46830094
CID 46830094
CID 46830095
CID 46830095
CID 46883888
CID 46883888
CID 46884413
CID 46884413
CID 46884414
CID 46884414
CID 46884437
CID 46884437
CID 46884438
CID 46884438

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide (CID 46830096) is 5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide is CCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1.
What is the InChIKey of 5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is NSJAQLDCCBDFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-5-25(16-9-10-20(27-4)24-11-16)21(26)19-13-22-18(12-23-19)17-8-6-7-14(2)15(17)3/h6-13H,5H2,1-4H3.
What are the key properties of 5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide?
5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxy-3-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 46830096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).