ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate

C17H19ClN2O4 — CID 118296003

IUPACethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)cc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C17H19ClN2O4/c1-4-24-17(21)13-10-20-16(18)8-14(13)19-9-11-5-6-12(22-2)7-15(11)23-3/h5-8,10H,4,9H2,1-3H3,(H,19,20)
InChIKeyLHSIDRBREWDZLS-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.54
Rot. Bonds7

About ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate

ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate (PubChem CID 118296003) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
PubChem CID118296003
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Nameethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)cc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C17H19ClN2O4/c1-4-24-17(21)13-10-20-16(18)8-14(13)19-9-11-5-6-12(22-2)7-15(11)23-3/h5-8,10H,4,9H2,1-3H3,(H,19,20)
InChIKeyLHSIDRBREWDZLS-UHFFFAOYSA-N
XLogP3.54
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate (CID 118296003) is ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1cnc(Cl)cc1NCc1ccc(OC)cc1OC.
What is the InChIKey of ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate?
The InChIKey is LHSIDRBREWDZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-4-24-17(21)13-10-20-16(18)8-14(13)19-9-11-5-6-12(22-2)7-15(11)23-3/h5-8,10H,4,9H2,1-3H3,(H,19,20).
What are the key properties of ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate?
ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate has a molecular weight of 350.80 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 118296003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).