2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate

C15H22N2O2 — CID 106205643

IUPAC2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCC(C)Nc1cccc(C(=O)OCCC2CCC2)n1
InChIInChI=1S/C15H22N2O2/c1-11(2)16-14-8-4-7-13(17-14)15(18)19-10-9-12-5-3-6-12/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H,16,17)
InChIKeyQDKHCTVPHTYMIC-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.25
Rot. Bonds6

About 2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate

2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate (PubChem CID 106205643) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
PubChem CID106205643
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCC(C)Nc1cccc(C(=O)OCCC2CCC2)n1
InChIInChI=1S/C15H22N2O2/c1-11(2)16-14-8-4-7-13(17-14)15(18)19-10-9-12-5-3-6-12/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H,16,17)
InChIKeyQDKHCTVPHTYMIC-UHFFFAOYSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The IUPAC name of 2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate (CID 106205643) is 2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate is CC(C)Nc1cccc(C(=O)OCCC2CCC2)n1.
What is the InChIKey of 2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The InChIKey is QDKHCTVPHTYMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)16-14-8-4-7-13(17-14)15(18)19-10-9-12-5-3-6-12/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 106205643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).