3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid

C15H20N2O3 — CID 104740375

IUPAC3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NC(=O)C1CCCCCCC1
InChIInChI=1S/C15H20N2O3/c18-14(11-7-4-2-1-3-5-8-11)17-12-9-6-10-16-13(12)15(19)20/h6,9-11H,1-5,7-8H2,(H,17,18)(H,19,20)
InChIKeyPLGXTAZJFTZIQC-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.08
Rot. Bonds3

About 3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid

3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid (PubChem CID 104740375) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
PubChem CID104740375
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NC(=O)C1CCCCCCC1
InChIInChI=1S/C15H20N2O3/c18-14(11-7-4-2-1-3-5-8-11)17-12-9-6-10-16-13(12)15(19)20/h6,9-11H,1-5,7-8H2,(H,17,18)(H,19,20)
InChIKeyPLGXTAZJFTZIQC-UHFFFAOYSA-N
XLogP3.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
CID 104740447
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175917
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
3-(prop-2-ynoylamino)pyridine-2-carboxylic acid
CID 104739879
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197
3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid
CID 23364091
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447917

Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid (CID 104740375) is 3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid is O=C(O)c1ncccc1NC(=O)C1CCCCCCC1.
What is the InChIKey of 3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid?
The InChIKey is PLGXTAZJFTZIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(11-7-4-2-1-3-5-8-11)17-12-9-6-10-16-13(12)15(19)20/h6,9-11H,1-5,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid?
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104740375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).