[2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C15H20N2O4 — CID 5062886

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NC1CCCCCC1
InChIInChI=1S/C15H20N2O4/c18-13(17-11-6-3-1-2-4-7-11)10-21-15(20)12-8-5-9-16-14(12)19/h5,8-9,11H,1-4,6-7,10H2,(H,16,19)(H,17,18)
InChIKeyUBSGLVOYDIZWJW-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.37
Rot. Bonds4

About [2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 5062886) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID5062886
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NC1CCCCCC1
InChIInChI=1S/C15H20N2O4/c18-13(17-11-6-3-1-2-4-7-11)10-21-15(20)12-8-5-9-16-14(12)19/h5,8-9,11H,1-4,6-7,10H2,(H,16,19)(H,17,18)
InChIKeyUBSGLVOYDIZWJW-UHFFFAOYSA-N
XLogP1.37
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 6598887
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786214
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223
[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075577
[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2555089
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8785919
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 4215187
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2435041
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549755

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 5062886) is [2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is UBSGLVOYDIZWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13(17-11-6-3-1-2-4-7-11)10-21-15(20)12-8-5-9-16-14(12)19/h5,8-9,11H,1-4,6-7,10H2,(H,16,19)(H,17,18).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 5062886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).