methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate

C14H15N3O3 — CID 11346332

IUPACmethyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate
SMILESCCOc1cccnc1Nc1cccc(C(=O)OC)n1
InChIInChI=1S/C14H15N3O3/c1-3-20-11-7-5-9-15-13(11)17-12-8-4-6-10(16-12)14(18)19-2/h4-9H,3H2,1-2H3,(H,15,16,17)
InChIKeyRCDZSTBIPOCJJF-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.41
Rot. Bonds5

About methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate

methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate (PubChem CID 11346332) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate
PubChem CID11346332
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate
SMILESCCOc1cccnc1Nc1cccc(C(=O)OC)n1
InChIInChI=1S/C14H15N3O3/c1-3-20-11-7-5-9-15-13(11)17-12-8-4-6-10(16-12)14(18)19-2/h4-9H,3H2,1-2H3,(H,15,16,17)
InChIKeyRCDZSTBIPOCJJF-UHFFFAOYSA-N
XLogP2.41
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate (CID 11346332) is methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate is CCOc1cccnc1Nc1cccc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate?
The InChIKey is RCDZSTBIPOCJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-20-11-7-5-9-15-13(11)17-12-8-4-6-10(16-12)14(18)19-2/h4-9H,3H2,1-2H3,(H,15,16,17).
What are the key properties of methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate?
methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-ethoxy-2-pyridinyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 11346332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).