[6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C18H21N3O3 — CID 74239050

IUPAC[6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc(C)cc(-c2cncc(C(=O)N3CCCC3)n2)c1OC
InChIInChI=1S/C18H21N3O3/c1-12-8-13(17(24-3)16(9-12)23-2)14-10-19-11-15(20-14)18(22)21-6-4-5-7-21/h8-11H,4-7H2,1-3H3
InChIKeyDPYVXHMRVSGHMQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.71
Rot. Bonds4

About [6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 74239050) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID74239050
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc(C)cc(-c2cncc(C(=O)N3CCCC3)n2)c1OC
InChIInChI=1S/C18H21N3O3/c1-12-8-13(17(24-3)16(9-12)23-2)14-10-19-11-15(20-14)18(22)21-6-4-5-7-21/h8-11H,4-7H2,1-3H3
InChIKeyDPYVXHMRVSGHMQ-UHFFFAOYSA-N
XLogP2.71
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 77087048
[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 74232997
3-(2,3-dimethoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411970
piperidin-1-yl-[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methanone
CID 74237335
[6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135116818
5-(pyrrolidine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109102640
piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone
CID 109226421
[6-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 122558953
(4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone
CID 119060088
[6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 50948310
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
(3-bromo-2-methoxy-5-methylphenyl)-pyrrolidin-1-ylmethanone
CID 50883166

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 74239050) is [6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is COc1cc(C)cc(-c2cncc(C(=O)N3CCCC3)n2)c1OC.
What is the InChIKey of [6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DPYVXHMRVSGHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-8-13(17(24-3)16(9-12)23-2)14-10-19-11-15(20-14)18(22)21-6-4-5-7-21/h8-11H,4-7H2,1-3H3.
What are the key properties of [6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 327.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dimethoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 74239050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).