tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate

C16H25N3O2 — CID 170765076

IUPACtert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
SMILESC[C@H]1CCCN1c1ccc(CNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H25N3O2/c1-12-6-5-9-19(12)14-8-7-13(10-17-14)11-18-15(20)21-16(2,3)4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyCFGNUQUCCSGPSJ-LBPRGKRZSA-N
MW291.40 g/mol
LogP3.10
Rot. Bonds3

About tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate

tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate (PubChem CID 170765076) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
PubChem CID170765076
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
SMILESC[C@H]1CCCN1c1ccc(CNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H25N3O2/c1-12-6-5-9-19(12)14-8-7-13(10-17-14)11-18-15(20)21-16(2,3)4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyCFGNUQUCCSGPSJ-LBPRGKRZSA-N
XLogP3.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
tert-butyl 4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]piperazine-1-carboxylate
CID 102546803
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
2-methoxy-N-[[6-(2-methylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80635743
tert-butyl N-[[1-(5-bromo-2-pyridinyl)piperidin-2-yl]methyl]carbamate
CID 71632208
tert-butyl N-[2-[[N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111885588
2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80632973
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
CID 24537576
tert-butyl N-[[(3S)-1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]methyl]carbamate
CID 95044081
5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine
CID 61255734

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate (CID 170765076) is tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate is C[C@H]1CCCN1c1ccc(CNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate?
The InChIKey is CFGNUQUCCSGPSJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-6-5-9-19(12)14-8-7-13(10-17-14)11-18-15(20)21-16(2,3)4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,18,20)/t12-/m0/s1.
What are the key properties of tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate?
tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate has a molecular weight of 291.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 170765076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).