6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid

C16H22N2O3 — CID 122051271

IUPAC6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCOC(C3CCCCC3)C2)n1
InChIInChI=1S/C16H22N2O3/c19-16(20)13-7-4-8-15(17-13)18-9-10-21-14(11-18)12-5-2-1-3-6-12/h4,7-8,12,14H,1-3,5-6,9-11H2,(H,19,20)
InChIKeyKBNHPUPYZXFVQQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.57
Rot. Bonds3

About 6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid

6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid (PubChem CID 122051271) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid
PubChem CID122051271
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCOC(C3CCCCC3)C2)n1
InChIInChI=1S/C16H22N2O3/c19-16(20)13-7-4-8-15(17-13)18-9-10-21-14(11-18)12-5-2-1-3-6-12/h4,7-8,12,14H,1-3,5-6,9-11H2,(H,19,20)
InChIKeyKBNHPUPYZXFVQQ-UHFFFAOYSA-N
XLogP2.57
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid
CID 79681061
6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122057511
6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122054567
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-[2-(3-hydroxyphenyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122054423
6-(2-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 122054334
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122053464
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
2-[4-(6-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435001
6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057093
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid (CID 122051271) is 6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCOC(C3CCCCC3)C2)n1.
What is the InChIKey of 6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid?
The InChIKey is KBNHPUPYZXFVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(20)13-7-4-8-15(17-13)18-9-10-21-14(11-18)12-5-2-1-3-6-12/h4,7-8,12,14H,1-3,5-6,9-11H2,(H,19,20).
What are the key properties of 6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid?
6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122051271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).