tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate

C15H23N3O2 — CID 18667607

IUPACtert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
SMILESCc1ccnc(N2CCC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C15H23N3O2/c1-11-5-7-16-13(9-11)18-8-6-12(10-18)17-14(19)20-15(2,3)4/h5,7,9,12H,6,8,10H2,1-4H3,(H,17,19)
InChIKeyYIJOQUIVOOYSSH-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.49
Rot. Bonds2

About tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate (PubChem CID 18667607) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
PubChem CID18667607
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
SMILESCc1ccnc(N2CCC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C15H23N3O2/c1-11-5-7-16-13(9-11)18-8-6-12(10-18)17-14(19)20-15(2,3)4/h5,7,9,12H,6,8,10H2,1-4H3,(H,17,19)
InChIKeyYIJOQUIVOOYSSH-UHFFFAOYSA-N
XLogP2.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[(3S)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]carbamate;(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-amine;trihydrochloride
CID 162046922
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
tert-butyl N-[(3R)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 165092295
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
tert-butyl N-[[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97176211
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853
tert-butyl N-[(3R)-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 164950783
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate
CID 118542685
tert-butyl N-[1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 126849473

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate (CID 18667607) is tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate is Cc1ccnc(N2CCC(NC(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate?
The InChIKey is YIJOQUIVOOYSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-5-7-16-13(9-11)18-8-6-12(10-18)17-14(19)20-15(2,3)4/h5,7,9,12H,6,8,10H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate has a molecular weight of 277.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 18667607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).