ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate

C20H19N3O2 — CID 2762751

IUPACethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cn2)nc(-c2ccc(C)cn2)c1
InChIInChI=1S/C20H19N3O2/c1-4-25-20(24)15-9-18(16-7-5-13(2)11-21-16)23-19(10-15)17-8-6-14(3)12-22-17/h5-12H,4H2,1-3H3
InChIKeyFDKHMAXGODZZTK-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.00
Rot. Bonds4

About ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate

ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate (PubChem CID 2762751) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate
PubChem CID2762751
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Nameethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cn2)nc(-c2ccc(C)cn2)c1
InChIInChI=1S/C20H19N3O2/c1-4-25-20(24)15-9-18(16-7-5-13(2)11-21-16)23-19(10-15)17-8-6-14(3)12-22-17/h5-12H,4H2,1-3H3
InChIKeyFDKHMAXGODZZTK-UHFFFAOYSA-N
XLogP4.00
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate (CID 2762751) is ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(C)cn2)nc(-c2ccc(C)cn2)c1.
What is the InChIKey of ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate?
The InChIKey is FDKHMAXGODZZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-4-25-20(24)15-9-18(16-7-5-13(2)11-21-16)23-19(10-15)17-8-6-14(3)12-22-17/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate?
ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-bis(5-methyl-2-pyridinyl)pyridine-4-carboxylate is sourced from PubChem (CID 2762751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).