5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide

C18H22N4O2 — CID 109274938

IUPAC5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NC3CCCCC3)cn2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-15-9-7-14(8-10-15)22-18(23)16-11-20-17(12-19-16)21-13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H,20,21)(H,22,23)
InChIKeyBZILKNGMNBLSAI-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.48
Rot. Bonds5

About 5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide

5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109274938) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID109274938
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NC3CCCCC3)cn2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-15-9-7-14(8-10-15)22-18(23)16-11-20-17(12-19-16)21-13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H,20,21)(H,22,23)
InChIKeyBZILKNGMNBLSAI-UHFFFAOYSA-N
XLogP3.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274209
N-(4-acetylphenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274951
N-(4-acetylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274207
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109274881
5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109287624
5-hydrazinyl-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 107377590
5-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109271885
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109271899
5-(cyclohexylamino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109274899
5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109274163

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide (CID 109274938) is 5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(NC3CCCCC3)cn2)cc1.
What is the InChIKey of 5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is BZILKNGMNBLSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-15-9-7-14(8-10-15)22-18(23)16-11-20-17(12-19-16)21-13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide?
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109274938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).