5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid

C19H22N4O4 — CID 125013381

IUPAC5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
SMILESCOCC(=O)N1CCC[C@H](Cc2cnc(-c3cncc(C(=O)O)c3)cn2)C1
InChIInChI=1S/C19H22N4O4/c1-27-12-18(24)23-4-2-3-13(11-23)5-16-9-22-17(10-21-16)14-6-15(19(25)26)8-20-7-14/h6-10,13H,2-5,11-12H2,1H3,(H,25,26)/t13-/m1/s1
InChIKeyWETCPLLVKPYJCN-CYBMUJFWSA-N
MW370.41 g/mol
LogP1.66
Rot. Bonds6

About 5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid

5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid (PubChem CID 125013381) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
PubChem CID125013381
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
SMILESCOCC(=O)N1CCC[C@H](Cc2cnc(-c3cncc(C(=O)O)c3)cn2)C1
InChIInChI=1S/C19H22N4O4/c1-27-12-18(24)23-4-2-3-13(11-23)5-16-9-22-17(10-21-16)14-6-15(19(25)26)8-20-7-14/h6-10,13H,2-5,11-12H2,1H3,(H,25,26)/t13-/m1/s1
InChIKeyWETCPLLVKPYJCN-CYBMUJFWSA-N
XLogP1.66
TPSA105.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-methoxy-1-[(3S)-3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124973600
3-[5-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]benzoic acid
CID 110120249
5-[5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 110120467
2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110101383
5-[6-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110133778
4-[5-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 124983560
1-[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125002279
2-cyclohexyl-1-[(3S)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125004635
4-[5-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 110120427
4-[5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 175660703
5-[5-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 125013141
5-[6-[[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 110120519

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid (CID 125013381) is 5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid is COCC(=O)N1CCC[C@H](Cc2cnc(-c3cncc(C(=O)O)c3)cn2)C1.
What is the InChIKey of 5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The InChIKey is WETCPLLVKPYJCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-27-12-18(24)23-4-2-3-13(11-23)5-16-9-22-17(10-21-16)14-6-15(19(25)26)8-20-7-14/h6-10,13H,2-5,11-12H2,1H3,(H,25,26)/t13-/m1/s1.
What are the key properties of 5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid?
5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 125013381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).