[2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate

C13H15BrN2O3 — CID 2432352

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
SMILESO=C(COC(=O)c1cncc(Br)c1)NC1CCCC1
InChIInChI=1S/C13H15BrN2O3/c14-10-5-9(6-15-7-10)13(18)19-8-12(17)16-11-3-1-2-4-11/h5-7,11H,1-4,8H2,(H,16,17)
InChIKeyRWTUCJGFOQFAMC-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.06
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate (PubChem CID 2432352) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
PubChem CID2432352
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
SMILESO=C(COC(=O)c1cncc(Br)c1)NC1CCCC1
InChIInChI=1S/C13H15BrN2O3/c14-10-5-9(6-15-7-10)13(18)19-8-12(17)16-11-3-1-2-4-11/h5-7,11H,1-4,8H2,(H,16,17)
InChIKeyRWTUCJGFOQFAMC-UHFFFAOYSA-N
XLogP2.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate (CID 2432352) is [2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate is O=C(COC(=O)c1cncc(Br)c1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The InChIKey is RWTUCJGFOQFAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-10-5-9(6-15-7-10)13(18)19-8-12(17)16-11-3-1-2-4-11/h5-7,11H,1-4,8H2,(H,16,17).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate has a molecular weight of 327.18 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate is sourced from PubChem (CID 2432352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).