5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide

C17H22N4O2 — CID 109273434

IUPAC5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(NC(C)CC)cn1
InChIInChI=1S/C17H22N4O2/c1-4-12(3)20-16-11-18-14(10-19-16)17(22)21-13-8-6-7-9-15(13)23-5-2/h6-12H,4-5H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyFICDDQFEIYYQSY-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.34
Rot. Bonds7

About 5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide

5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109273434) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
PubChem CID109273434
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(NC(C)CC)cn1
InChIInChI=1S/C17H22N4O2/c1-4-12(3)20-16-11-18-14(10-19-16)17(22)21-13-8-6-7-9-15(13)23-5-2/h6-12H,4-5H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyFICDDQFEIYYQSY-UHFFFAOYSA-N
XLogP3.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281748
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109292315
5-(2-ethoxyanilino)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292013
methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109293673
N-(2-ethoxyphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281497
5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109273399
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
CID 109292240
5-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293748
5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293339
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109273413

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide (CID 109273434) is 5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide is CCOc1ccccc1NC(=O)c1cnc(NC(C)CC)cn1.
What is the InChIKey of 5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is FICDDQFEIYYQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-12(3)20-16-11-18-14(10-19-16)17(22)21-13-8-6-7-9-15(13)23-5-2/h6-12H,4-5H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide?
5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109273434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).