tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate

C29H37N3O5 — CID 155456100

IUPACtert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccc(OC4COC4)nc3)CC2)n1
InChIInChI=1S/C29H37N3O5/c1-29(2,3)37-28(34)31-15-22-11-12-24(19-6-7-19)26(32-22)27(33)20-8-4-18(5-9-20)21-10-13-25(30-14-21)36-23-16-35-17-23/h10-14,18-20,23H,4-9,15-17H2,1-3H3,(H,31,34)
InChIKeyUMYIKELTSXCGHQ-UHFFFAOYSA-N
MW507.63 g/mol
LogP5.31
Rot. Bonds8

About tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate

tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate (PubChem CID 155456100) has the molecular formula C29H37N3O5 and a molecular weight of 507.63 g/mol. Its IUPAC name is tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate
PubChem CID155456100
Molecular FormulaC29H37N3O5
Molecular Weight507.63 g/mol
Exact Mass507.27
IUPAC Nametert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccc(OC4COC4)nc3)CC2)n1
InChIInChI=1S/C29H37N3O5/c1-29(2,3)37-28(34)31-15-22-11-12-24(19-6-7-19)26(32-22)27(33)20-8-4-18(5-9-20)21-10-13-25(30-14-21)36-23-16-35-17-23/h10-14,18-20,23H,4-9,15-17H2,1-3H3,(H,31,34)
InChIKeyUMYIKELTSXCGHQ-UHFFFAOYSA-N
XLogP5.31
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[5-cyclopropyl-6-[4-[6-(trifluoromethyl)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate
CID 134381173
tert-butyl N-[[5-cyclopropyl-6-(4-phenylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate
CID 134381262
tert-butyl N-[[6-[4-(4-chloro-3-fluorophenyl)cyclohexanecarbonyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate
CID 150960569
tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate
CID 134381452
tert-butyl N-[[6-[4-(4-chlorophenyl)cyclohexanecarbonyl]-5-propan-2-yl-2-pyridinyl]methyl]carbamate
CID 134382059
tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate
CID 140925195
[4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone
CID 159396738
tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate
CID 134328701
[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone
CID 134381366
1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone
CID 102604862
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
ethyl 4-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 66761492

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate (CID 155456100) is tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccc(OC4COC4)nc3)CC2)n1.
What is the InChIKey of tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate?
The InChIKey is UMYIKELTSXCGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O5/c1-29(2,3)37-28(34)31-15-22-11-12-24(19-6-7-19)26(32-22)27(33)20-8-4-18(5-9-20)21-10-13-25(30-14-21)36-23-16-35-17-23/h10-14,18-20,23H,4-9,15-17H2,1-3H3,(H,31,34).
What are the key properties of tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate has a molecular weight of 507.63 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 155456100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).