3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid

C14H20N2O2 — CID 55146320

IUPAC3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCN(Cc1cccnc1C(=O)O)C1CCCC1
InChIInChI=1S/C14H20N2O2/c1-2-16(12-7-3-4-8-12)10-11-6-5-9-15-13(11)14(17)18/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,18)
InChIKeyUSURGCJLSORFKO-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.54
Rot. Bonds5

About 3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid

3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 55146320) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID55146320
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCN(Cc1cccnc1C(=O)O)C1CCCC1
InChIInChI=1S/C14H20N2O2/c1-2-16(12-7-3-4-8-12)10-11-6-5-9-15-13(11)14(17)18/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,18)
InChIKeyUSURGCJLSORFKO-UHFFFAOYSA-N
XLogP2.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 63069334
3-[[cyclopentyl(ethyl)amino]methyl]thiophene-2-carboxylic acid
CID 55246285
3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469637
3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 82754485
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
CID 63571134
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068298
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbothioamide
CID 62893452
2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404
3-[(4-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145932
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one
CID 43794247

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid (CID 55146320) is 3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid is CCN(Cc1cccnc1C(=O)O)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is USURGCJLSORFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-16(12-7-3-4-8-12)10-11-6-5-9-15-13(11)14(17)18/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,18).
What are the key properties of 3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid?
3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 55146320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).