5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide

C16H19N5O — CID 109271899

IUPAC5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cnc(NC3CC3)cn2)cc1
InChIInChI=1S/C16H19N5O/c1-21(2)13-7-5-12(6-8-13)20-16(22)14-9-18-15(10-17-14)19-11-3-4-11/h5-11H,3-4H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyJVTQDQJGNBBFMW-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.37
Rot. Bonds5

About 5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide

5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide (PubChem CID 109271899) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
PubChem CID109271899
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cnc(NC3CC3)cn2)cc1
InChIInChI=1S/C16H19N5O/c1-21(2)13-7-5-12(6-8-13)20-16(22)14-9-18-15(10-17-14)19-11-3-4-11/h5-11H,3-4H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyJVTQDQJGNBBFMW-UHFFFAOYSA-N
XLogP2.37
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274209
5-(cyclopropylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109271889
6-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 84573387
N-(4-acetylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274207
6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109161046
N-(4-acetylphenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274951
N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109292849
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109274938
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935
N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109274776
5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109287624
N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289786

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide (CID 109271899) is 5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide is CN(C)c1ccc(NC(=O)c2cnc(NC3CC3)cn2)cc1.
What is the InChIKey of 5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide?
The InChIKey is JVTQDQJGNBBFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-21(2)13-7-5-12(6-8-13)20-16(22)14-9-18-15(10-17-14)19-11-3-4-11/h5-11H,3-4H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of 5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide?
5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109271899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).