3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid

C17H18N4O3 — CID 110258258

IUPAC3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1cccc(C2CCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C17H18N4O3/c22-16(23)7-6-12-3-1-4-13(20-12)15-5-2-10-21(15)17(24)14-11-18-8-9-19-14/h1,3-4,8-9,11,15H,2,5-7,10H2,(H,22,23)
InChIKeyYAYZJNYBNXVRPD-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.87
Rot. Bonds5

About 3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid

3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid (PubChem CID 110258258) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
PubChem CID110258258
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1cccc(C2CCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C17H18N4O3/c22-16(23)7-6-12-3-1-4-13(20-12)15-5-2-10-21(15)17(24)14-11-18-8-9-19-14/h1,3-4,8-9,11,15H,2,5-7,10H2,(H,22,23)
InChIKeyYAYZJNYBNXVRPD-UHFFFAOYSA-N
XLogP1.87
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110254532
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95827209
3-[6-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-2-pyridinyl]propanamide
CID 95820724
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 124973545
[(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95839096
3-[6-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-methylpropanamide
CID 110269727
3-[6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 95820731
[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 94801467
N-[[4-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095597
[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110117162

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid?
The IUPAC name of 3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid (CID 110258258) is 3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid is O=C(O)CCc1cccc(C2CCCN2C(=O)c2cnccn2)n1.
What is the InChIKey of 3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid?
The InChIKey is YAYZJNYBNXVRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-16(23)7-6-12-3-1-4-13(20-12)15-5-2-10-21(15)17(24)14-11-18-8-9-19-14/h1,3-4,8-9,11,15H,2,5-7,10H2,(H,22,23).
What are the key properties of 3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid?
3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid has a molecular weight of 326.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid is sourced from PubChem (CID 110258258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).