5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide

C18H24N4O — CID 109287454

IUPAC5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(NC(C)(C)C)cn1)c1cccc(C)c1
InChIInChI=1S/C18H24N4O/c1-6-22(14-9-7-8-13(2)10-14)17(23)15-11-20-16(12-19-15)21-18(3,4)5/h7-12H,6H2,1-5H3,(H,20,21)
InChIKeyCKRUADFEXUGSIY-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.66
Rot. Bonds4

About 5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide

5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109287454) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
PubChem CID109287454
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(NC(C)(C)C)cn1)c1cccc(C)c1
InChIInChI=1S/C18H24N4O/c1-6-22(14-9-7-8-13(2)10-14)17(23)15-11-20-16(12-19-15)21-18(3,4)5/h7-12H,6H2,1-5H3,(H,20,21)
InChIKeyCKRUADFEXUGSIY-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271148
N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109290010
N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271545
5-(3-chloroanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109292815
5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109293352
4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089233
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
N-ethyl-N-(3-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189083
N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347136
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272245
N-ethyl-5-[(4-methoxyphenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109190548

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide (CID 109287454) is 5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide is CCN(C(=O)c1cnc(NC(C)(C)C)cn1)c1cccc(C)c1.
What is the InChIKey of 5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is CKRUADFEXUGSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-6-22(14-9-7-8-13(2)10-14)17(23)15-11-20-16(12-19-15)21-18(3,4)5/h7-12H,6H2,1-5H3,(H,20,21).
What are the key properties of 5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide?
5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).