5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide

C21H23N5O — CID 109290744

IUPAC5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccc(N(C)C)cc3)cn2)c(C)c1
InChIInChI=1S/C21H23N5O/c1-14-5-10-18(15(2)11-14)25-21(27)19-12-23-20(13-22-19)24-16-6-8-17(9-7-16)26(3)4/h5-13H,1-4H3,(H,23,24)(H,25,27)
InChIKeyIHRFIPNMSAXGFE-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.16
Rot. Bonds5

About 5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide

5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109290744) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109290744
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccc(N(C)C)cc3)cn2)c(C)c1
InChIInChI=1S/C21H23N5O/c1-14-5-10-18(15(2)11-14)25-21(27)19-12-23-20(13-22-19)24-16-6-8-17(9-7-16)26(3)4/h5-13H,1-4H3,(H,23,24)(H,25,27)
InChIKeyIHRFIPNMSAXGFE-UHFFFAOYSA-N
XLogP4.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.16
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-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109290725
methyl 4-[[5-[(2,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290743
N-(4-chloro-2-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290136
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109292849
N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289786
5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109290833
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109287359
5-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290763
5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109290834
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109294263
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290118

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide (CID 109290744) is 5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3ccc(N(C)C)cc3)cn2)c(C)c1.
What is the InChIKey of 5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is IHRFIPNMSAXGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-5-10-18(15(2)11-14)25-21(27)19-12-23-20(13-22-19)24-16-6-8-17(9-7-16)26(3)4/h5-13H,1-4H3,(H,23,24)(H,25,27).
What are the key properties of 5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).