N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide

C18H24N4O — CID 109287251

IUPACN-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
SMILESCc1cc(C)c(Nc2cnc(C(=O)NC(C)(C)C)cn2)c(C)c1
InChIInChI=1S/C18H24N4O/c1-11-7-12(2)16(13(3)8-11)21-15-10-19-14(9-20-15)17(23)22-18(4,5)6/h7-10H,1-6H3,(H,20,21)(H,22,23)
InChIKeyMHZHSXFPTXSZEP-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.67
Rot. Bonds3

About N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide

N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide (PubChem CID 109287251) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
PubChem CID109287251
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
SMILESCc1cc(C)c(Nc2cnc(C(=O)NC(C)(C)C)cn2)c(C)c1
InChIInChI=1S/C18H24N4O/c1-11-7-12(2)16(13(3)8-11)21-15-10-19-14(9-20-15)17(23)22-18(4,5)6/h7-10H,1-6H3,(H,20,21)(H,22,23)
InChIKeyMHZHSXFPTXSZEP-UHFFFAOYSA-N
XLogP3.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
CID 109287309
N-tert-butyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109262869
N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109216858
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
N-tert-butyl-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271428
N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109287329
N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109287259
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide
CID 109273234
5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109273026
5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287810
N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109287332
5-(prop-2-enylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272249

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide (CID 109287251) is N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide is Cc1cc(C)c(Nc2cnc(C(=O)NC(C)(C)C)cn2)c(C)c1.
What is the InChIKey of N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide?
The InChIKey is MHZHSXFPTXSZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-11-7-12(2)16(13(3)8-11)21-15-10-19-14(9-20-15)17(23)22-18(4,5)6/h7-10H,1-6H3,(H,20,21)(H,22,23).
What are the key properties of N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide?
N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).