[2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C16H22N2O4 — CID 2343997

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C16H22N2O4/c1-2-21-15-13(9-6-10-17-15)16(20)22-11-14(19)18-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,18,19)
InChIKeyUVIOTZAUXAPTCX-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.09
Rot. Bonds6

About [2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2343997) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2343997
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C16H22N2O4/c1-2-21-15-13(9-6-10-17-15)16(20)22-11-14(19)18-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,18,19)
InChIKeyUVIOTZAUXAPTCX-UHFFFAOYSA-N
XLogP2.09
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 2343997) is [2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is UVIOTZAUXAPTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-2-21-15-13(9-6-10-17-15)16(20)22-11-14(19)18-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,18,19).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2343997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).