[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate

C18H19N3O3 — CID 32970535

IUPAC[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cn1
InChIInChI=1S/C18H19N3O3/c1-13-10-20-16(11-19-13)18(23)24-12-14-4-6-15(7-5-14)17(22)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9,12H2,1H3
InChIKeyOAMBWQXTWYAUOM-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.38
Rot. Bonds4

About [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate

[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate (PubChem CID 32970535) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
PubChem CID32970535
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cn1
InChIInChI=1S/C18H19N3O3/c1-13-10-20-16(11-19-13)18(23)24-12-14-4-6-15(7-5-14)17(22)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9,12H2,1H3
InChIKeyOAMBWQXTWYAUOM-UHFFFAOYSA-N
XLogP2.38
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 2458017
[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 8634406
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31651902
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 39882327
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-methyl-3-nitrobenzoate
CID 32970671
azepan-1-yl-[4-(propan-2-yloxymethyl)phenyl]methanone
CID 60646026
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 110884966
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 32974340

Frequently Asked Questions

What is the IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate?
The IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate (CID 32970535) is [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cn1.
What is the InChIKey of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate?
The InChIKey is OAMBWQXTWYAUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-10-20-16(11-19-13)18(23)24-12-14-4-6-15(7-5-14)17(22)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9,12H2,1H3.
What are the key properties of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate?
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 32970535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).