methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate

C18H22N4O3 — CID 109288297

IUPACmethyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C18H22N4O3/c1-4-5-10-22(2)17(23)15-11-20-16(12-19-15)21-14-8-6-13(7-9-14)18(24)25-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21)
InChIKeyLPZNMJUUCKXNON-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.88
Rot. Bonds7

About methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate

methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate (PubChem CID 109288297) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
PubChem CID109288297
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namemethyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C18H22N4O3/c1-4-5-10-22(2)17(23)15-11-20-16(12-19-15)21-14-8-6-13(7-9-14)18(24)25-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21)
InChIKeyLPZNMJUUCKXNON-UHFFFAOYSA-N
XLogP2.88
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide
CID 109288338
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109263930
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288302
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276
methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290259
5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288311
N-butyl-N-methyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272998
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109271303
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288254
N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
CID 109288331
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide
CID 109288332

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The IUPAC name of methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate (CID 109288297) is methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate is CCCCN(C)C(=O)c1cnc(Nc2ccc(C(=O)OC)cc2)cn1.
What is the InChIKey of methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The InChIKey is LPZNMJUUCKXNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-4-5-10-22(2)17(23)15-11-20-16(12-19-15)21-14-8-6-13(7-9-14)18(24)25-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21).
What are the key properties of methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate has a molecular weight of 342.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 109288297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).