tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate

C24H35N3O3 — CID 118429880

IUPACtert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate
SMILESCc1cc(-c2cc(C)c(OC[C@](C)(CC(C)C)NC(=O)OC(C)(C)C)cn2)ccn1
InChIInChI=1S/C24H35N3O3/c1-16(2)13-24(8,27-22(28)30-23(5,6)7)15-29-21-14-26-20(11-17(21)3)19-9-10-25-18(4)12-19/h9-12,14,16H,13,15H2,1-8H3,(H,27,28)/t24-/m0/s1
InChIKeyICTOZMINFMVRCI-DEOSSOPVSA-N
MW413.56 g/mol
LogP5.47
Rot. Bonds7

About tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate

tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate (PubChem CID 118429880) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate
PubChem CID118429880
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Nametert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate
SMILESCc1cc(-c2cc(C)c(OC[C@](C)(CC(C)C)NC(=O)OC(C)(C)C)cn2)ccn1
InChIInChI=1S/C24H35N3O3/c1-16(2)13-24(8,27-22(28)30-23(5,6)7)15-29-21-14-26-20(11-17(21)3)19-9-10-25-18(4)12-19/h9-12,14,16H,13,15H2,1-8H3,(H,27,28)/t24-/m0/s1
InChIKeyICTOZMINFMVRCI-DEOSSOPVSA-N
XLogP5.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate with MolForge

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Related Compounds

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nicotinaldehyde O-4-(decyloxy)phenylcarbamoyl oxime
CID 20872720
nicotinaldehyde O-4-(dodecyloxy)phenylcarbamoyl oxime
CID 20872721
nicotinaldehyde O-4-(nonyloxy)phenylcarbamoyl oxime
CID 20872725
nicotinaldehyde O-4-(octyloxy)phenylcarbamoyl oxime
CID 20872726
nicotinaldehyde O-4-(undecyloxy)phenylcarbamoyl oxime
CID 20872732
7-(5-Propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485797
US10155760, Example 238
CID 118419882
Aak1-IN-5
CID 118420559

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate (CID 118429880) is tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate is Cc1cc(-c2cc(C)c(OC[C@](C)(CC(C)C)NC(=O)OC(C)(C)C)cn2)ccn1.
What is the InChIKey of tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate?
The InChIKey is ICTOZMINFMVRCI-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-16(2)13-24(8,27-22(28)30-23(5,6)7)15-29-21-14-26-20(11-17(21)3)19-9-10-25-18(4)12-19/h9-12,14,16H,13,15H2,1-8H3,(H,27,28)/t24-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate?
tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate has a molecular weight of 413.56 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-yl]carbamate is sourced from PubChem (CID 118429880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).