[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate

C15H20N2O3 — CID 646374

IUPAC[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccncc1
InChIInChI=1S/C15H20N2O3/c1-11(18)20-14(12-7-9-16-10-8-12)15(19)17-13-5-3-2-4-6-13/h7-10,13-14H,2-6H2,1H3,(H,17,19)
InChIKeyYVPNZBGAFNZGTL-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.13
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate

[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate (PubChem CID 646374) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate
PubChem CID646374
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccncc1
InChIInChI=1S/C15H20N2O3/c1-11(18)20-14(12-7-9-16-10-8-12)15(19)17-13-5-3-2-4-6-13/h7-10,13-14H,2-6H2,1H3,(H,17,19)
InChIKeyYVPNZBGAFNZGTL-UHFFFAOYSA-N
XLogP2.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate (CID 646374) is [2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate is CC(=O)OC(C(=O)NC1CCCCC1)c1ccncc1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate?
The InChIKey is YVPNZBGAFNZGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)20-14(12-7-9-16-10-8-12)15(19)17-13-5-3-2-4-6-13/h7-10,13-14H,2-6H2,1H3,(H,17,19).
What are the key properties of [2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate?
[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate has a molecular weight of 276.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl] acetate is sourced from PubChem (CID 646374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).