1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C18H19FN4O2 — CID 127245716

IUPAC1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1(c2cnccn2)CCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H19FN4O2/c1-22(2)17(25)18(15-12-20-8-9-21-15)7-4-10-23(18)16(24)13-5-3-6-14(19)11-13/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3
InChIKeyPEWIDBIYOGPSQJ-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.84
Rot. Bonds3

About 1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide

1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 127245716) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID127245716
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1(c2cnccn2)CCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H19FN4O2/c1-22(2)17(25)18(15-12-20-8-9-21-15)7-4-10-23(18)16(24)13-5-3-6-14(19)11-13/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3
InChIKeyPEWIDBIYOGPSQJ-UHFFFAOYSA-N
XLogP1.84
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 125006234
1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245714
(2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124963497
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 124986361
(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991235
N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 118740311
(2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 125006023
1-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245773
(2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124941437
7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
CID 125019653
1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 125009234
4-(3-fluorobenzoyl)-N,N-dimethyl-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 4032810

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 127245716) is 1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide is CN(C)C(=O)C1(c2cnccn2)CCCN1C(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is PEWIDBIYOGPSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-22(2)17(25)18(15-12-20-8-9-21-15)7-4-10-23(18)16(24)13-5-3-6-14(19)11-13/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3.
What are the key properties of 1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 127245716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).