5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide

C21H22N4O2 — CID 109291932

IUPAC5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)Nc3ccccc3C(C)C)cn2)cc1
InChIInChI=1S/C21H22N4O2/c1-14(2)17-6-4-5-7-18(17)25-21(26)19-12-23-20(13-22-19)24-15-8-10-16(27-3)11-9-15/h4-14H,1-3H3,(H,23,24)(H,25,26)
InChIKeyMLVMQHHGUGGSDZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.60
Rot. Bonds6

About 5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide

5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109291932) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109291932
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)Nc3ccccc3C(C)C)cn2)cc1
InChIInChI=1S/C21H22N4O2/c1-14(2)17-6-4-5-7-18(17)25-21(26)19-12-23-20(13-22-19)24-15-8-10-16(27-3)11-9-15/h4-14H,1-3H3,(H,23,24)(H,25,26)
InChIKeyMLVMQHHGUGGSDZ-UHFFFAOYSA-N
XLogP4.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-propan-2-yloxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291937
5-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293616
N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291979
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
N-(4-methoxyphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289766
N-(4-ethoxyphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109293614
5-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293748
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572
N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109290725
N-(2-ethylphenyl)-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109291492
methyl 4-[[5-(4-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293630
N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292042

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109291932) is 5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide is COc1ccc(Nc2cnc(C(=O)Nc3ccccc3C(C)C)cn2)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is MLVMQHHGUGGSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14(2)17-6-4-5-7-18(17)25-21(26)19-12-23-20(13-22-19)24-15-8-10-16(27-3)11-9-15/h4-14H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109291932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).