5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid

C14H20N2O2 — CID 104690117

IUPAC5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid
SMILESCCC1CCCCCN1c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H20N2O2/c1-2-11-6-4-3-5-9-16(11)12-7-8-13(14(17)18)15-10-12/h7-8,10-11H,2-6,9H2,1H3,(H,17,18)
InChIKeyPKVRMCXQXDCCQP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.94
Rot. Bonds3

About 5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid

5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid (PubChem CID 104690117) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid
PubChem CID104690117
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid
SMILESCCC1CCCCCN1c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H20N2O2/c1-2-11-6-4-3-5-9-16(11)12-7-8-13(14(17)18)15-10-12/h7-8,10-11H,2-6,9H2,1H3,(H,17,18)
InChIKeyPKVRMCXQXDCCQP-UHFFFAOYSA-N
XLogP2.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196262
N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide
CID 109189130
5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 115490753
5-(2-ethylpiperidin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109195721
N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196271
5-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191491
5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194845
1-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113030715
5-(2-ethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
CID 109194957
5-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109196298
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906
methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate
CID 83126327

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid (CID 104690117) is 5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid is CCC1CCCCCN1c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid?
The InChIKey is PKVRMCXQXDCCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-11-6-4-3-5-9-16(11)12-7-8-13(14(17)18)15-10-12/h7-8,10-11H,2-6,9H2,1H3,(H,17,18).
What are the key properties of 5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid?
5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 104690117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).