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

C17H24N2O4 — CID 2356475

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NC1CCCCCC1
InChIInChI=1S/C17H24N2O4/c1-2-22-16-14(10-7-11-18-16)17(21)23-12-15(20)19-13-8-5-3-4-6-9-13/h7,10-11,13H,2-6,8-9,12H2,1H3,(H,19,20)
InChIKeyBYZZBBYDSPLYMG-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.48
Rot. Bonds6

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

[2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2356475) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2356475
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NC1CCCCCC1
InChIInChI=1S/C17H24N2O4/c1-2-22-16-14(10-7-11-18-16)17(21)23-12-15(20)19-13-8-5-3-4-6-9-13/h7,10-11,13H,2-6,8-9,12H2,1H3,(H,19,20)
InChIKeyBYZZBBYDSPLYMG-UHFFFAOYSA-N
XLogP2.48
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 2080643
[2-(Benzylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2346507
[2-[(4-Methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359496
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2364069
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2467378
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2645846
N-[3-(2-p-Tolyloxy-acetylamino)-propyl]-nicotinamide
CID 2988570
[1-(4-Ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 4215262
2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4794993
[1-(4-Morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 5035879
2-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 9113215
[5-(4-Fluorophenylcarbamoyl)Pyridin-2-Yloxy]Acetic Acid Ethyl Ester
CID 15981316

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 2356475) is [2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is BYZZBBYDSPLYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-22-16-14(10-7-11-18-16)17(21)23-12-15(20)19-13-8-5-3-4-6-9-13/h7,10-11,13H,2-6,8-9,12H2,1H3,(H,19,20).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2356475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).