6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid

C16H20N4O2 — CID 164632928

IUPAC6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCCc1nccn1[C@H]1CCCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C16H20N4O2/c1-2-14-17-8-10-20(14)12-5-4-9-19(11-12)15-7-3-6-13(18-15)16(21)22/h3,6-8,10,12H,2,4-5,9,11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyLQQXLIPQWLFDEF-LBPRGKRZSA-N
MW300.36 g/mol
LogP2.38
Rot. Bonds4

About 6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid

6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 164632928) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID164632928
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCCc1nccn1[C@H]1CCCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C16H20N4O2/c1-2-14-17-8-10-20(14)12-5-4-9-19(11-12)15-7-3-6-13(18-15)16(21)22/h3,6-8,10,12H,2,4-5,9,11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyLQQXLIPQWLFDEF-LBPRGKRZSA-N
XLogP2.38
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid (CID 164632928) is 6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid is CCc1nccn1[C@H]1CCCN(c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is LQQXLIPQWLFDEF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-14-17-8-10-20(14)12-5-4-9-19(11-12)15-7-3-6-13(18-15)16(21)22/h3,6-8,10,12H,2,4-5,9,11H2,1H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 164632928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).