[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate

C20H18N4O4 — CID 2458017

IUPAC[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCc2ccc(COC(=O)c3cnc(C)cn3)cc2)cn1
InChIInChI=1S/C20H18N4O4/c1-13-7-23-17(9-21-13)19(25)27-11-15-3-5-16(6-4-15)12-28-20(26)18-10-22-14(2)8-24-18/h3-10H,11-12H2,1-2H3
InChIKeyKVEOOOSVBMAMJW-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.60
Rot. Bonds6

About [4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate

[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate (PubChem CID 2458017) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is [4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
PubChem CID2458017
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCc2ccc(COC(=O)c3cnc(C)cn3)cc2)cn1
InChIInChI=1S/C20H18N4O4/c1-13-7-23-17(9-21-13)19(25)27-11-15-3-5-16(6-4-15)12-28-20(26)18-10-22-14(2)8-24-18/h3-10H,11-12H2,1-2H3
InChIKeyKVEOOOSVBMAMJW-UHFFFAOYSA-N
XLogP2.60
TPSA104.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 32970535
[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 8634406
(5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate
CID 26757554
[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524473
(4-tert-butylphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81312491
(3-acetyl-2,4,6-trimethylphenyl)methyl 5-methylpyrazine-2-carboxylate
CID 35809575
[2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 4137428
(2-chloroquinolin-3-yl)methyl 5-methylpyrazine-2-carboxylate
CID 7594610
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate
CID 18777229
(7-hydroxy-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate
CID 7950062
(7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate
CID 2548027
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199747

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate?
The IUPAC name of [4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate (CID 2458017) is [4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCc2ccc(COC(=O)c3cnc(C)cn3)cc2)cn1.
What is the InChIKey of [4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate?
The InChIKey is KVEOOOSVBMAMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-13-7-23-17(9-21-13)19(25)27-11-15-3-5-16(6-4-15)12-28-20(26)18-10-22-14(2)8-24-18/h3-10H,11-12H2,1-2H3.
What are the key properties of [4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate?
[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate has a molecular weight of 378.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2458017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).