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

C23H27N5O — CID 109292270

IUPAC5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cnc(Nc3ccccc3C(C)(C)C)cn2)cc1
InChIInChI=1S/C23H27N5O/c1-23(2,3)18-8-6-7-9-19(18)27-21-15-24-20(14-25-21)22(29)26-16-10-12-17(13-11-16)28(4)5/h6-15H,1-5H3,(H,25,27)(H,26,29)
InChIKeyURKLOOXEGNFRBK-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.84
Rot. Bonds5

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

5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide (PubChem CID 109292270) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
PubChem CID109292270
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cnc(Nc3ccccc3C(C)(C)C)cn2)cc1
InChIInChI=1S/C23H27N5O/c1-23(2,3)18-8-6-7-9-19(18)27-21-15-24-20(14-25-21)22(29)26-16-10-12-17(13-11-16)28(4)5/h6-15H,1-5H3,(H,25,27)(H,26,29)
InChIKeyURKLOOXEGNFRBK-UHFFFAOYSA-N
XLogP4.84
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.84
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-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289786
N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109292849
5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293832
N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109292255
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
CID 109292240
5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide
CID 109287489
N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide
CID 109293760
N-butan-2-yl-5-(2-tert-butylanilino)pyrazine-2-carboxamide
CID 109273222
N-(2-tert-butylphenyl)-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109316369
5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290744
5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109271899
5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide (CID 109292270) is 5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide is CN(C)c1ccc(NC(=O)c2cnc(Nc3ccccc3C(C)(C)C)cn2)cc1.
What is the InChIKey of 5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide?
The InChIKey is URKLOOXEGNFRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-23(2,3)18-8-6-7-9-19(18)27-21-15-24-20(14-25-21)22(29)26-16-10-12-17(13-11-16)28(4)5/h6-15H,1-5H3,(H,25,27)(H,26,29).
What are the key properties of 5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide?
5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109292270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).