ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate

C17H20N2O2 — CID 122378001

IUPACethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1
InChIInChI=1S/C17H20N2O2/c1-5-21-16(20)12-6-8-18-14(10-12)15-11-13(7-9-19-15)17(2,3)4/h6-11H,5H2,1-4H3
InChIKeyPYAMNUSXVDNTKD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.62
Rot. Bonds3

About ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate

ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate (PubChem CID 122378001) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
PubChem CID122378001
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1
InChIInChI=1S/C17H20N2O2/c1-5-21-16(20)12-6-8-18-14(10-12)15-11-13(7-9-19-15)17(2,3)4/h6-11H,5H2,1-4H3
InChIKeyPYAMNUSXVDNTKD-UHFFFAOYSA-N
XLogP3.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate (CID 122378001) is ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate is CCOC(=O)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.
What is the InChIKey of ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate?
The InChIKey is PYAMNUSXVDNTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-5-21-16(20)12-6-8-18-14(10-12)15-11-13(7-9-19-15)17(2,3)4/h6-11H,5H2,1-4H3.
What are the key properties of ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate?
ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate is sourced from PubChem (CID 122378001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).