5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid

C18H22N4O2 — CID 124960571

IUPAC5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
SMILESCC(C)N1CCC[C@H](c2nccnc2-c2cncc(C(=O)O)c2)C1
InChIInChI=1S/C18H22N4O2/c1-12(2)22-7-3-4-13(11-22)16-17(21-6-5-20-16)14-8-15(18(23)24)10-19-9-14/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,23,24)/t13-/m0/s1
InChIKeyGVLVLYILUNLHPA-ZDUSSCGKSA-N
MW326.40 g/mol
LogP2.82
Rot. Bonds4

About 5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid

5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid (PubChem CID 124960571) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
PubChem CID124960571
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
SMILESCC(C)N1CCC[C@H](c2nccnc2-c2cncc(C(=O)O)c2)C1
InChIInChI=1S/C18H22N4O2/c1-12(2)22-7-3-4-13(11-22)16-17(21-6-5-20-16)14-8-15(18(23)24)10-19-9-14/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,23,24)/t13-/m0/s1
InChIKeyGVLVLYILUNLHPA-ZDUSSCGKSA-N
XLogP2.82
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid (CID 124960571) is 5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid is CC(C)N1CCC[C@H](c2nccnc2-c2cncc(C(=O)O)c2)C1.
What is the InChIKey of 5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The InChIKey is GVLVLYILUNLHPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)22-7-3-4-13(11-22)16-17(21-6-5-20-16)14-8-15(18(23)24)10-19-9-14/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,23,24)/t13-/m0/s1.
What are the key properties of 5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid?
5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 124960571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).