5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide

C23H26N4O2 — CID 109292315

IUPAC5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C23H26N4O2/c1-5-29-20-9-7-6-8-18(20)27-22(28)19-14-25-21(15-24-19)26-17-12-10-16(11-13-17)23(2,3)4/h6-15H,5H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyWMCAUNUSMLTECV-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.17
Rot. Bonds6

About 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide

5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109292315) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
PubChem CID109292315
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C23H26N4O2/c1-5-29-20-9-7-6-8-18(20)27-22(28)19-14-25-21(15-24-19)26-17-12-10-16(11-13-17)23(2,3)4/h6-15H,5H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyWMCAUNUSMLTECV-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 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)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

methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109293673
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
CID 109292240
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
5-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293748
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109244073
5-(2-ethoxyanilino)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292013
N-(2-ethylphenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109291498
5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109273434
N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281748
5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293339
N-(2-ethoxyphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281497

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide (CID 109292315) is 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide is CCOc1ccccc1NC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is WMCAUNUSMLTECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-5-29-20-9-7-6-8-18(20)27-22(28)19-14-25-21(15-24-19)26-17-12-10-16(11-13-17)23(2,3)4/h6-15H,5H2,1-4H3,(H,25,26)(H,27,28).
What are the key properties of 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)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 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).