5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid

C14H20N2O2 — CID 113321639

IUPAC5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
SMILESCCC1CCCN(c2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-11-4-3-8-16(9-7-11)12-5-6-13(14(17)18)15-10-12/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyJYSLLCNNTWHTAY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.80
Rot. Bonds3

About 5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid

5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid (PubChem CID 113321639) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
PubChem CID113321639
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
SMILESCCC1CCCN(c2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-11-4-3-8-16(9-7-11)12-5-6-13(14(17)18)15-10-12/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyJYSLLCNNTWHTAY-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990674
1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
CID 83118890
5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 115490992
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114797982
5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 113321627
5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 104690117
1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one
CID 115938950
5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 115491017
3-(4-ethylazepan-1-yl)pyridine-4-carboxylic acid
CID 113269749
1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone
CID 83119164

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid (CID 113321639) is 5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid is CCC1CCCN(c2ccc(C(=O)O)nc2)CC1.
What is the InChIKey of 5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid?
The InChIKey is JYSLLCNNTWHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-11-4-3-8-16(9-7-11)12-5-6-13(14(17)18)15-10-12/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,18).
What are the key properties of 5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid?
5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113321639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).