[2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate

C20H28N2O3 — CID 2431043

IUPAC[2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccncc1
InChIInChI=1S/C20H28N2O3/c23-19(15-25-20(24)16-11-13-21-14-12-16)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10,15H2
InChIKeyYDXGBXNQBNTESX-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.73
Rot. Bonds5

About [2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate

[2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate (PubChem CID 2431043) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is [2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate
PubChem CID2431043
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name[2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccncc1
InChIInChI=1S/C20H28N2O3/c23-19(15-25-20(24)16-11-13-21-14-12-16)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10,15H2
InChIKeyYDXGBXNQBNTESX-UHFFFAOYSA-N
XLogP3.73
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate?
The IUPAC name of [2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate (CID 2431043) is [2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate is O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccncc1.
What is the InChIKey of [2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate?
The InChIKey is YDXGBXNQBNTESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19(15-25-20(24)16-11-13-21-14-12-16)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10,15H2.
What are the key properties of [2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate?
[2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate has a molecular weight of 344.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dicyclohexylamino)-2-oxoethyl] pyridine-4-carboxylate is sourced from PubChem (CID 2431043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).