N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide

C15H17ClN4O — CID 109287259

IUPACN-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H17ClN4O/c1-15(2,3)20-14(21)12-8-18-13(9-17-12)19-11-6-4-5-10(16)7-11/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKeyLJFIODJDLQMEGX-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.40
Rot. Bonds3

About N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide

N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide (PubChem CID 109287259) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide
PubChem CID109287259
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H17ClN4O/c1-15(2,3)20-14(21)12-8-18-13(9-17-12)19-11-6-4-5-10(16)7-11/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKeyLJFIODJDLQMEGX-UHFFFAOYSA-N
XLogP3.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109287332
5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide
CID 109292809
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721
5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
CID 109287309
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290227
5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109289139
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 109286468

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide (CID 109287259) is N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide is CC(C)(C)NC(=O)c1cnc(Nc2cccc(Cl)c2)cn1.
What is the InChIKey of N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide?
The InChIKey is LJFIODJDLQMEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-15(2,3)20-14(21)12-8-18-13(9-17-12)19-11-6-4-5-10(16)7-11/h4-9H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide?
N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.40, 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-(3-chloroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).