5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide

C18H22N4O — CID 109274163

IUPAC5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(NC3CCCC3)cn2)c1
InChIInChI=1S/C18H22N4O/c1-12-7-13(2)9-15(8-12)22-18(23)16-10-20-17(11-19-16)21-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyNMZHUVLSOAJOPN-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.70
Rot. Bonds4

About 5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide

5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109274163) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109274163
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(NC3CCCC3)cn2)c1
InChIInChI=1S/C18H22N4O/c1-12-7-13(2)9-15(8-12)22-18(23)16-10-20-17(11-19-16)21-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyNMZHUVLSOAJOPN-UHFFFAOYSA-N
XLogP3.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylamino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109274899
5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109182436
N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274209
N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274228
N-(4-acetylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274207
N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274970
5-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109275001
N-(4-acetylphenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274951
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109274938
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322002

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide (CID 109274163) is 5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide is Cc1cc(C)cc(NC(=O)c2cnc(NC3CCCC3)cn2)c1.
What is the InChIKey of 5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is NMZHUVLSOAJOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-7-13(2)9-15(8-12)22-18(23)16-10-20-17(11-19-16)21-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide?
5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109274163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).