N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide

C21H26N4O — CID 109275443

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)NCCC3=CCCCC3)cn2)c1C
InChIInChI=1S/C21H26N4O/c1-15-7-6-10-18(16(15)2)25-20-14-23-19(13-24-20)21(26)22-12-11-17-8-4-3-5-9-17/h6-8,10,13-14H,3-5,9,11-12H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyALWNBKXMVUWWCL-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.46
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide (PubChem CID 109275443) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
PubChem CID109275443
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)NCCC3=CCCCC3)cn2)c1C
InChIInChI=1S/C21H26N4O/c1-15-7-6-10-18(16(15)2)25-20-14-23-19(13-24-20)21(26)22-12-11-17-8-4-3-5-9-17/h6-8,10,13-14H,3-5,9,11-12H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyALWNBKXMVUWWCL-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285792
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095612
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109364575
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707
N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109275380
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109275513
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109285781
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108959365
N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275595
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide
CID 109275648

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide (CID 109275443) is N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide is Cc1cccc(Nc2cnc(C(=O)NCCC3=CCCCC3)cn2)c1C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The InChIKey is ALWNBKXMVUWWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-7-6-10-18(16(15)2)25-20-14-23-19(13-24-20)21(26)22-12-11-17-8-4-3-5-9-17/h6-8,10,13-14H,3-5,9,11-12H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109275443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).