ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate

C15H22N2O3 — CID 103742732

IUPACethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CC(OC)C2(C)C)nc1
InChIInChI=1S/C15H22N2O3/c1-5-20-14(18)10-6-7-13(16-9-10)17-11-8-12(19-4)15(11,2)3/h6-7,9,11-12H,5,8H2,1-4H3,(H,16,17)
InChIKeyNGQINCOQUZPQQE-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.48
Rot. Bonds5

About ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate

ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate (PubChem CID 103742732) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate
PubChem CID103742732
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CC(OC)C2(C)C)nc1
InChIInChI=1S/C15H22N2O3/c1-5-20-14(18)10-6-7-13(16-9-10)17-11-8-12(19-4)15(11,2)3/h6-7,9,11-12H,5,8H2,1-4H3,(H,16,17)
InChIKeyNGQINCOQUZPQQE-UHFFFAOYSA-N
XLogP2.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate (CID 103742732) is ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NC2CC(OC)C2(C)C)nc1.
What is the InChIKey of ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate?
The InChIKey is NGQINCOQUZPQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-20-14(18)10-6-7-13(16-9-10)17-11-8-12(19-4)15(11,2)3/h6-7,9,11-12H,5,8H2,1-4H3,(H,16,17).
What are the key properties of ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate?
ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 103742732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).