5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide

C22H24N4O3 — CID 109293804

IUPAC5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1cnc(C(=O)Nc2ccc(OC(C)C)cc2)cn1
InChIInChI=1S/C22H24N4O3/c1-14(2)29-17-8-6-16(7-9-17)25-22(27)19-12-24-21(13-23-19)26-18-11-15(3)5-10-20(18)28-4/h5-14H,1-4H3,(H,24,26)(H,25,27)
InChIKeyGDOBQNOVXIXALK-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.58
Rot. Bonds7

About 5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide

5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293804) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
PubChem CID109293804
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1cnc(C(=O)Nc2ccc(OC(C)C)cc2)cn1
InChIInChI=1S/C22H24N4O3/c1-14(2)29-17-8-6-16(7-9-17)25-22(27)19-12-24-21(13-23-19)26-18-11-15(3)5-10-20(18)28-4/h5-14H,1-4H3,(H,24,26)(H,25,27)
InChIKeyGDOBQNOVXIXALK-UHFFFAOYSA-N
XLogP4.58
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292055
5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293034
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290731
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109273244
N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290799
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866363
5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109293826
5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670
5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289456

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide (CID 109293804) is 5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide is COc1ccc(C)cc1Nc1cnc(C(=O)Nc2ccc(OC(C)C)cc2)cn1.
What is the InChIKey of 5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The InChIKey is GDOBQNOVXIXALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)29-17-8-6-16(7-9-17)25-22(27)19-12-24-21(13-23-19)26-18-11-15(3)5-10-20(18)28-4/h5-14H,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).