N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide

C23H26N4O2 — CID 109292240

IUPACN-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
SMILESCCOc1ccccc1Nc1cnc(C(=O)Nc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C23H26N4O2/c1-5-29-20-13-9-8-12-18(20)26-21-15-24-19(14-25-21)22(28)27-17-11-7-6-10-16(17)23(2,3)4/h6-15H,5H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyODJQKQVMKJKFHI-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.17
Rot. Bonds6

About N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide

N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide (PubChem CID 109292240) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
PubChem CID109292240
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
SMILESCCOc1ccccc1Nc1cnc(C(=O)Nc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C23H26N4O2/c1-5-29-20-13-9-8-12-18(20)26-21-15-24-19(14-25-21)22(28)27-17-11-7-6-10-16(17)23(2,3)4/h6-15H,5H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyODJQKQVMKJKFHI-UHFFFAOYSA-N
XLogP5.17
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)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-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109292315
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
5-(2-ethoxyanilino)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292013
5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286788
5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293339
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109244010
5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287022
methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109293673
N-butan-2-yl-5-(2-tert-butylanilino)pyrazine-2-carboxamide
CID 109273222
5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109273434
5-(2-ethoxyanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290242

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide (CID 109292240) is N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide is CCOc1ccccc1Nc1cnc(C(=O)Nc2ccccc2C(C)(C)C)cn1.
What is the InChIKey of N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide?
The InChIKey is ODJQKQVMKJKFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-5-29-20-13-9-8-12-18(20)26-21-15-24-19(14-25-21)22(28)27-17-11-7-6-10-16(17)23(2,3)4/h6-15H,5H2,1-4H3,(H,25,26)(H,27,28).
What are the key properties of N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide?
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109292240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).