ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate

C24H17N5O2 — CID 164577760

IUPACethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3cccnc3n2)nc(-c2ccc3cccnc3n2)c1
InChIInChI=1S/C24H17N5O2/c1-2-31-24(30)17-13-20(18-9-7-15-5-3-11-25-22(15)28-18)27-21(14-17)19-10-8-16-6-4-12-26-23(16)29-19/h3-14H,2H2,1H3
InChIKeyVJPQAOIOTKBTBM-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.48
Rot. Bonds4

About ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate

ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate (PubChem CID 164577760) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate
PubChem CID164577760
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC Nameethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3cccnc3n2)nc(-c2ccc3cccnc3n2)c1
InChIInChI=1S/C24H17N5O2/c1-2-31-24(30)17-13-20(18-9-7-15-5-3-11-25-22(15)28-18)27-21(14-17)19-10-8-16-6-4-12-26-23(16)29-19/h3-14H,2H2,1H3
InChIKeyVJPQAOIOTKBTBM-UHFFFAOYSA-N
XLogP4.48
TPSA90.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate (CID 164577760) is ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc3cccnc3n2)nc(-c2ccc3cccnc3n2)c1.
What is the InChIKey of ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate?
The InChIKey is VJPQAOIOTKBTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2/c1-2-31-24(30)17-13-20(18-9-7-15-5-3-11-25-22(15)28-18)27-21(14-17)19-10-8-16-6-4-12-26-23(16)29-19/h3-14H,2H2,1H3.
What are the key properties of ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate?
ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate has a molecular weight of 407.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylate is sourced from PubChem (CID 164577760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).