[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

C18H13ClN2O3 — CID 2592145

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)nc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H13ClN2O3/c19-16-8-6-14(10-20-16)18(23)24-11-17(22)21-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)
InChIKeyWQAGSFDILCMGBF-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.68
Rot. Bonds4

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate (PubChem CID 2592145) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
PubChem CID2592145
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)nc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H13ClN2O3/c19-16-8-6-14(10-20-16)18(23)24-11-17(22)21-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)
InChIKeyWQAGSFDILCMGBF-UHFFFAOYSA-N
XLogP3.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate (CID 2592145) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate is O=C(COC(=O)c1ccc(Cl)nc1)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The InChIKey is WQAGSFDILCMGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c19-16-8-6-14(10-20-16)18(23)24-11-17(22)21-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate has a molecular weight of 340.77 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 2592145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).