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

C16H16Cl2N2O3 — CID 22025937

IUPACethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Cl)nc1NCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O3/c1-3-23-16(21)11-5-7-14(18)20-15(11)19-9-10-4-6-13(22-2)12(17)8-10/h4-8H,3,9H2,1-2H3,(H,19,20)
InChIKeyCCGIUBLVXIBMLX-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.19
Rot. Bonds6

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

ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate (PubChem CID 22025937) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate
PubChem CID22025937
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Nameethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Cl)nc1NCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O3/c1-3-23-16(21)11-5-7-14(18)20-15(11)19-9-10-4-6-13(22-2)12(17)8-10/h4-8H,3,9H2,1-2H3,(H,19,20)
InChIKeyCCGIUBLVXIBMLX-UHFFFAOYSA-N
XLogP4.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.19
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

6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
CID 22025904
ethyl 6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]quinazoline-2-carboxylate
CID 18796701
ethyl 6-chloro-2-(thiophen-2-ylmethylamino)pyridine-3-carboxylate
CID 168991232
ethyl 2-[(3-chloro-4-methoxyphenyl)methylamino]acetate
CID 65021849
ethyl 6-chloro-2-(4-methylpent-2-ynylamino)pyridine-3-carboxylate
CID 171638359
ethyl 4-[2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carbonyl]hydrazinyl]-2-methylpyrimidine-5-carboxylate
CID 58863327
ethyl 3-[(3-chloro-4-methoxyphenyl)methylamino]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-5-carboxylate
CID 15512592
ethyl 4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-methylsulfinylpyrimidine-5-carboxylate
CID 118313623
ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886332
6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
CID 103292726
ethyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-[(3-chloro-4-ethoxyphenyl)methylamino]pyrimidine-5-carboxylate;ethyl 4-[(3-chloro-4-ethoxyphenyl)methylamino]-2-methylsulfinylpyrimidine-5-carboxylate
CID 159079407
ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-cyclopropylquinoline-3-carboxylate
CID 46841873

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate (CID 22025937) is ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(Cl)nc1NCc1ccc(OC)c(Cl)c1.
What is the InChIKey of ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The InChIKey is CCGIUBLVXIBMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-3-23-16(21)11-5-7-14(18)20-15(11)19-9-10-4-6-13(22-2)12(17)8-10/h4-8H,3,9H2,1-2H3,(H,19,20).
What are the key properties of ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate has a molecular weight of 355.22 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 22025937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).