5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid

C15H20N2O3 — CID 43414727

IUPAC5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NC1CCCCCCC1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H20N2O3/c18-14(11-8-9-13(15(19)20)16-10-11)17-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7H2,(H,17,18)(H,19,20)
InChIKeyCSMORRKGLTXNRU-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.62
Rot. Bonds3

About 5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid

5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43414727) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43414727
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NC1CCCCCCC1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H20N2O3/c18-14(11-8-9-13(15(19)20)16-10-11)17-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7H2,(H,17,18)(H,19,20)
InChIKeyCSMORRKGLTXNRU-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119163910
5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 61380872
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cyclooctyl-6-hydrazinylpyridine-3-carboxamide
CID 62237790
N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide
CID 70888296
5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
CID 55230781
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115
6-tert-butyl-N-cyclohexylpyridine-3-carboxamide
CID 20709646
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603

Frequently Asked Questions

What is the IUPAC name of 5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid (CID 43414727) is 5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid is O=C(NC1CCCCCCC1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is CSMORRKGLTXNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(11-8-9-13(15(19)20)16-10-11)17-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7H2,(H,17,18)(H,19,20).
What are the key properties of 5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid?
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43414727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).