[2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate

C14H18N2O3 — CID 1088735

IUPAC[2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)NC1CCCCC1
InChIInChI=1S/C14H18N2O3/c17-13(16-11-6-2-1-3-7-11)10-19-14(18)12-8-4-5-9-15-12/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyCSKABBOWDCCUQH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.69
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 1088735) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID1088735
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)NC1CCCCC1
InChIInChI=1S/C14H18N2O3/c17-13(16-11-6-2-1-3-7-11)10-19-14(18)12-8-4-5-9-15-12/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyCSKABBOWDCCUQH-UHFFFAOYSA-N
XLogP1.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate (CID 1088735) is [2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is CSKABBOWDCCUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(16-11-6-2-1-3-7-11)10-19-14(18)12-8-4-5-9-15-12/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 1088735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).