ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate

C20H20N2O3 — CID 36727184

IUPACethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2c(OC)ccc3ccccc23)nc1
InChIInChI=1S/C20H20N2O3/c1-3-25-20(23)15-9-11-19(21-12-15)22-13-17-16-7-5-4-6-14(16)8-10-18(17)24-2/h4-12H,3,13H2,1-2H3,(H,21,22)
InChIKeyAFMSXQINEXDJDO-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.03
Rot. Bonds6

About ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate

ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate (PubChem CID 36727184) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate
PubChem CID36727184
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2c(OC)ccc3ccccc23)nc1
InChIInChI=1S/C20H20N2O3/c1-3-25-20(23)15-9-11-19(21-12-15)22-13-17-16-7-5-4-6-14(16)8-10-18(17)24-2/h4-12H,3,13H2,1-2H3,(H,21,22)
InChIKeyAFMSXQINEXDJDO-UHFFFAOYSA-N
XLogP4.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate (CID 36727184) is ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2c(OC)ccc3ccccc23)nc1.
What is the InChIKey of ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is AFMSXQINEXDJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-25-20(23)15-9-11-19(21-12-15)22-13-17-16-7-5-4-6-14(16)8-10-18(17)24-2/h4-12H,3,13H2,1-2H3,(H,21,22).
What are the key properties of ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate?
ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 36727184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).