(2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C17H17FN4O2 — CID 124941437

IUPAC(2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)Cc1ccccc1F
InChIInChI=1S/C17H17FN4O2/c18-13-5-2-1-4-12(13)10-15(23)22-9-3-6-17(22,16(19)24)14-11-20-7-8-21-14/h1-2,4-5,7-8,11H,3,6,9-10H2,(H2,19,24)/t17-/m0/s1
InChIKeyANKGVRYEEFROCS-KRWDZBQOSA-N
MW328.35 g/mol
LogP1.16
Rot. Bonds4

About (2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

(2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 124941437) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is (2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID124941437
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name(2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)Cc1ccccc1F
InChIInChI=1S/C17H17FN4O2/c18-13-5-2-1-4-12(13)10-15(23)22-9-3-6-17(22,16(19)24)14-11-20-7-8-21-14/h1-2,4-5,7-8,11H,3,6,9-10H2,(H2,19,24)/t17-/m0/s1
InChIKeyANKGVRYEEFROCS-KRWDZBQOSA-N
XLogP1.16
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124941438
(2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124948573
2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide
CID 118740026
(2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124947122
(2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124944335
N-methyl-2-pyrazin-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 127245834
(2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124970789
1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 118740294
1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 110098709
(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125011653
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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 124941437) is (2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)Cc1ccccc1F.
What is the InChIKey of (2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is ANKGVRYEEFROCS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-13-5-2-1-4-12(13)10-15(23)22-9-3-6-17(22,16(19)24)14-11-20-7-8-21-14/h1-2,4-5,7-8,11H,3,6,9-10H2,(H2,19,24)/t17-/m0/s1.
What are the key properties of (2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124941437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).