tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate

C18H29N3O2 — CID 102540161

IUPACtert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
SMILESCC(C)CNc1ccc(C2CCCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C18H29N3O2/c1-13(2)11-19-16-9-8-14(12-20-16)15-7-6-10-21(15)17(22)23-18(3,4)5/h8-9,12-13,15H,6-7,10-11H2,1-5H3,(H,19,20)
InChIKeyPDPYBNPLAMKHQB-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.22
Rot. Bonds4

About tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate

tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate (PubChem CID 102540161) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
PubChem CID102540161
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
SMILESCC(C)CNc1ccc(C2CCCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C18H29N3O2/c1-13(2)11-19-16-9-8-14(12-20-16)15-7-6-10-21(15)17(22)23-18(3,4)5/h8-9,12-13,15H,6-7,10-11H2,1-5H3,(H,19,20)
InChIKeyPDPYBNPLAMKHQB-UHFFFAOYSA-N
XLogP4.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540097
tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102540049
[2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102540166
tert-butyl 2-[6-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540929
tert-butyl (2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176737
tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541520
tert-butyl (2R)-2-(4-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 11536817
tert-butyl 2-[[(5-bromo-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 67090767
tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102540145
4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 86309421
tert-butyl 2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carboxylate;ethane
CID 155735409
tert-butyl (2R)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 67158206

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate (CID 102540161) is tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate is CC(C)CNc1ccc(C2CCCN2C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate?
The InChIKey is PDPYBNPLAMKHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)11-19-16-9-8-14(12-20-16)15-7-6-10-21(15)17(22)23-18(3,4)5/h8-9,12-13,15H,6-7,10-11H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate has a molecular weight of 319.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 102540161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).