tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate

C16H25N3O2 — CID 71647426

IUPACtert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
SMILESCN(Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-8-14(12-19)18(4)11-13-7-5-6-9-17-13/h5-7,9,14H,8,10-12H2,1-4H3
InChIKeyVWNKUZVVWKWUNH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.52
Rot. Bonds3

About tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate (PubChem CID 71647426) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
PubChem CID71647426
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
SMILESCN(Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-8-14(12-19)18(4)11-13-7-5-6-9-17-13/h5-7,9,14H,8,10-12H2,1-4H3
InChIKeyVWNKUZVVWKWUNH-UHFFFAOYSA-N
XLogP2.52
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate (CID 71647426) is tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate is CN(Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is VWNKUZVVWKWUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-8-14(12-19)18(4)11-13-7-5-6-9-17-13/h5-7,9,14H,8,10-12H2,1-4H3.
What are the key properties of tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71647426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).