1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C18H22N4O — CID 118740294

IUPAC1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(CN2CCCC2(C(N)=O)c2cnccn2)c(C)c1
InChIInChI=1S/C18H22N4O/c1-13-4-5-15(14(2)10-13)12-22-9-3-6-18(22,17(19)23)16-11-20-7-8-21-16/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3,(H2,19,23)
InChIKeyAVBOWJIQQHYEES-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.07
Rot. Bonds4

About 1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 118740294) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID118740294
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(CN2CCCC2(C(N)=O)c2cnccn2)c(C)c1
InChIInChI=1S/C18H22N4O/c1-13-4-5-15(14(2)10-13)12-22-9-3-6-18(22,17(19)23)16-11-20-7-8-21-16/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3,(H2,19,23)
InChIKeyAVBOWJIQQHYEES-UHFFFAOYSA-N
XLogP2.07
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 118740294) is 1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is Cc1ccc(CN2CCCC2(C(N)=O)c2cnccn2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is AVBOWJIQQHYEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-4-5-15(14(2)10-13)12-22-9-3-6-18(22,17(19)23)16-11-20-7-8-21-16/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3,(H2,19,23).
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118740294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).