5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid

C16H18N4O3 — CID 122050962

IUPAC5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESCc1ccnc(OC2CCN(c3cnc(C(=O)O)cn3)CC2)c1
InChIInChI=1S/C16H18N4O3/c1-11-2-5-17-15(8-11)23-12-3-6-20(7-4-12)14-10-18-13(9-19-14)16(21)22/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,21,22)
InChIKeyYUVZNAOGFWHXTQ-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.93
Rot. Bonds4

About 5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid

5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122050962) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122050962
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESCc1ccnc(OC2CCN(c3cnc(C(=O)O)cn3)CC2)c1
InChIInChI=1S/C16H18N4O3/c1-11-2-5-17-15(8-11)23-12-3-6-20(7-4-12)14-10-18-13(9-19-14)16(21)22/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,21,22)
InChIKeyYUVZNAOGFWHXTQ-UHFFFAOYSA-N
XLogP1.93
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid (CID 122050962) is 5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid is Cc1ccnc(OC2CCN(c3cnc(C(=O)O)cn3)CC2)c1.
What is the InChIKey of 5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is YUVZNAOGFWHXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-2-5-17-15(8-11)23-12-3-6-20(7-4-12)14-10-18-13(9-19-14)16(21)22/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,21,22).
What are the key properties of 5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 314.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122050962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).