tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate

C16H25N3O2 — CID 103768701

IUPACtert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate
SMILESCc1ccc(CNC2CCN(C(=O)OC(C)(C)C)C2)nc1
InChIInChI=1S/C16H25N3O2/c1-12-5-6-13(17-9-12)10-18-14-7-8-19(11-14)15(20)21-16(2,3)4/h5-6,9,14,18H,7-8,10-11H2,1-4H3
InChIKeyALBAGCHIQYXJGY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate

tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate (PubChem CID 103768701) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate
PubChem CID103768701
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate
SMILESCc1ccc(CNC2CCN(C(=O)OC(C)(C)C)C2)nc1
InChIInChI=1S/C16H25N3O2/c1-12-5-6-13(17-9-12)10-18-14-7-8-19(11-14)15(20)21-16(2,3)4/h5-6,9,14,18H,7-8,10-11H2,1-4H3
InChIKeyALBAGCHIQYXJGY-UHFFFAOYSA-N
XLogP2.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[(5-amino-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate
CID 66738148
tert-butyl 3-[(4-methylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960869
tert-butyl (3R)-3-(pyrazin-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629492
tert-butyl 2-methyl-3-[(5-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 104954209
tert-butyl 3-(pyridin-3-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629688
tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 103524796
tert-butyl (3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176740
tert-butyl 4-methyl-4-[(5-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 104956417
tert-butyl (3S)-3-[(2-bromo-4-pyridinyl)methylamino]pyrrolidine-1-carboxylate
CID 71629276
tert-butyl (3R)-3-[methyl-(5-methyl-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71646670
N-[(5-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 80708604
tert-butyl 3-[(2-fluorophenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960868

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate (CID 103768701) is tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate is Cc1ccc(CNC2CCN(C(=O)OC(C)(C)C)C2)nc1.
What is the InChIKey of tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate?
The InChIKey is ALBAGCHIQYXJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-5-6-13(17-9-12)10-18-14-7-8-19(11-14)15(20)21-16(2,3)4/h5-6,9,14,18H,7-8,10-11H2,1-4H3.
What are the key properties of tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate?
tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103768701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).