N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C19H22N4O2 — CID 118740037

IUPACN,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1(c2cnccn2)CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C19H22N4O2/c1-22(2)18(25)19(16-14-20-10-11-21-16)9-6-12-23(19)17(24)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14H,6,9,12-13H2,1-2H3
InChIKeyOSOGBOIGGXHACV-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.63
Rot. Bonds4

About N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide

N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 118740037) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID118740037
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1(c2cnccn2)CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C19H22N4O2/c1-22(2)18(25)19(16-14-20-10-11-21-16)9-6-12-23(19)17(24)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14H,6,9,12-13H2,1-2H3
InChIKeyOSOGBOIGGXHACV-UHFFFAOYSA-N
XLogP1.63
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 118740037) is N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide is CN(C)C(=O)C1(c2cnccn2)CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is OSOGBOIGGXHACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(2)18(25)19(16-14-20-10-11-21-16)9-6-12-23(19)17(24)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14H,6,9,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-phenylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118740037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).