N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide

C18H21N5O2 — CID 109274209

IUPACN-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(NC3CCCC3)cn2)cc1
InChIInChI=1S/C18H21N5O2/c1-12(24)21-14-6-8-15(9-7-14)23-18(25)16-10-20-17(11-19-16)22-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,22)(H,21,24)(H,23,25)
InChIKeyZZSRARWTFQWUKM-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.04
Rot. Bonds5

About N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide

N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide (PubChem CID 109274209) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
PubChem CID109274209
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(NC3CCCC3)cn2)cc1
InChIInChI=1S/C18H21N5O2/c1-12(24)21-14-6-8-15(9-7-14)23-18(25)16-10-20-17(11-19-16)22-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,22)(H,21,24)(H,23,25)
InChIKeyZZSRARWTFQWUKM-UHFFFAOYSA-N
XLogP3.04
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274207
N-(4-acetylphenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274951
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109274938
N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285306
5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109271899
5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109287624
5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109274163
5-(cyclopropylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109271889
5-(cyclohexylamino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109274899
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
N-(3-bromophenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274970

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide (CID 109274209) is N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(NC3CCCC3)cn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide?
The InChIKey is ZZSRARWTFQWUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(24)21-14-6-8-15(9-7-14)23-18(25)16-10-20-17(11-19-16)22-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,22)(H,21,24)(H,23,25).
What are the key properties of N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide?
N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109274209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).