[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate

C15H13Cl2N3O4 — CID 8764443

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
SMILESCOc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C15H13Cl2N3O4/c1-23-12-6-10(18)9(16)5-8(12)15(22)24-7-13(21)20-11-3-2-4-19-14(11)17/h2-6H,7,18H2,1H3,(H,20,21)
InChIKeyOAJHNSXIIQVKRU-UHFFFAOYSA-N
MW370.19 g/mol
LogP2.77
Rot. Bonds5

About [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate (PubChem CID 8764443) has the molecular formula C15H13Cl2N3O4 and a molecular weight of 370.19 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
PubChem CID8764443
Molecular FormulaC15H13Cl2N3O4
Molecular Weight370.19 g/mol
Exact Mass369.03
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
SMILESCOc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C15H13Cl2N3O4/c1-23-12-6-10(18)9(16)5-8(12)15(22)24-7-13(21)20-11-3-2-4-19-14(11)17/h2-6H,7,18H2,1H3,(H,20,21)
InChIKeyOAJHNSXIIQVKRU-UHFFFAOYSA-N
XLogP2.77
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate (CID 8764443) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate is COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1cccnc1Cl.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate?
The InChIKey is OAJHNSXIIQVKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O4/c1-23-12-6-10(18)9(16)5-8(12)15(22)24-7-13(21)20-11-3-2-4-19-14(11)17/h2-6H,7,18H2,1H3,(H,20,21).
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate has a molecular weight of 370.19 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate is sourced from PubChem (CID 8764443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).