1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide

C20H25N3O3 — CID 90651852

IUPAC1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)Cc3cnccn3)CCCC2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-23(14-16-13-21-10-11-22-16)19(24)20(8-4-5-9-20)15-6-7-17(25-2)18(12-15)26-3/h6-7,10-13H,4-5,8-9,14H2,1-3H3
InChIKeyKJSOJOMRKBNTST-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.96
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide

1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 90651852) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID90651852
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)Cc3cnccn3)CCCC2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-23(14-16-13-21-10-11-22-16)19(24)20(8-4-5-9-20)15-6-7-17(25-2)18(12-15)26-3/h6-7,10-13H,4-5,8-9,14H2,1-3H3
InChIKeyKJSOJOMRKBNTST-UHFFFAOYSA-N
XLogP2.96
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide (CID 90651852) is 1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)N(C)Cc3cnccn3)CCCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is KJSOJOMRKBNTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-23(14-16-13-21-10-11-22-16)19(24)20(8-4-5-9-20)15-6-7-17(25-2)18(12-15)26-3/h6-7,10-13H,4-5,8-9,14H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 90651852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).