N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide

C17H22N4O2 — CID 109273244

IUPACN-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2cc(C)ccc2OC)cn1
InChIInChI=1S/C17H22N4O2/c1-5-12(3)20-17(22)14-9-19-16(10-18-14)21-13-8-11(2)6-7-15(13)23-4/h6-10,12H,5H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyWLJXZKFHVFJNNA-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds6

About N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide

N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide (PubChem CID 109273244) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
PubChem CID109273244
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2cc(C)ccc2OC)cn1
InChIInChI=1S/C17H22N4O2/c1-5-12(3)20-17(22)14-9-19-16(10-18-14)21-13-8-11(2)6-7-15(13)23-4/h6-10,12H,5H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyWLJXZKFHVFJNNA-UHFFFAOYSA-N
XLogP3.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109340888
N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109273249
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293804
N-(2-ethyl-6-methylphenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109291856
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109293826
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292055
5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290731
N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109273143

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide (CID 109273244) is N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide is CCC(C)NC(=O)c1cnc(Nc2cc(C)ccc2OC)cn1.
What is the InChIKey of N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide?
The InChIKey is WLJXZKFHVFJNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-12(3)20-17(22)14-9-19-16(10-18-14)21-13-8-11(2)6-7-15(13)23-4/h6-10,12H,5H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide?
N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109273244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).