[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate

C18H13ClN2O3 — CID 2437942

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2ccccc12)Nc1cccnc1Cl
InChIInChI=1S/C18H13ClN2O3/c19-17-15(9-4-10-20-17)21-16(22)11-24-18(23)14-8-3-6-12-5-1-2-7-13(12)14/h1-10H,11H2,(H,21,22)
InChIKeyGOOSGOPAQCVROW-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.68
Rot. Bonds4

About [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate (PubChem CID 2437942) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate
PubChem CID2437942
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2ccccc12)Nc1cccnc1Cl
InChIInChI=1S/C18H13ClN2O3/c19-17-15(9-4-10-20-17)21-16(22)11-24-18(23)14-8-3-6-12-5-1-2-7-13(12)14/h1-10H,11H2,(H,21,22)
InChIKeyGOOSGOPAQCVROW-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'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate (CID 2437942) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate is O=C(COC(=O)c1cccc2ccccc12)Nc1cccnc1Cl.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate?
The InChIKey is GOOSGOPAQCVROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c19-17-15(9-4-10-20-17)21-16(22)11-24-18(23)14-8-3-6-12-5-1-2-7-13(12)14/h1-10H,11H2,(H,21,22).
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-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-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 2437942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).