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

C19H15ClN2O4 — CID 2689451

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C19H15ClN2O4/c1-25-16-10-13-6-3-2-5-12(13)9-14(16)19(24)26-11-17(23)22-15-7-4-8-21-18(15)20/h2-10H,11H2,1H3,(H,22,23)
InChIKeyISPQZSFFRPSWOF-UHFFFAOYSA-N
MW370.79 g/mol
LogP3.69
Rot. Bonds5

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

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate (PubChem CID 2689451) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
PubChem CID2689451
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C19H15ClN2O4/c1-25-16-10-13-6-3-2-5-12(13)9-14(16)19(24)26-11-17(23)22-15-7-4-8-21-18(15)20/h2-10H,11H2,1H3,(H,22,23)
InChIKeyISPQZSFFRPSWOF-UHFFFAOYSA-N
XLogP3.69
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7766550
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 3362952
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate
CID 2498230
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376958
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8856113
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949320
[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515590
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 7766908
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510840
[2-(4-iodoanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2353398
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501417
[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7395034

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate (CID 2689451) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate is COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cccnc1Cl.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The InChIKey is ISPQZSFFRPSWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-25-16-10-13-6-3-2-5-12(13)9-14(16)19(24)26-11-17(23)22-15-7-4-8-21-18(15)20/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate has a molecular weight of 370.79 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 2689451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).