tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate

C25H33N3O2 — CID 166912061

IUPACtert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate
SMILESCC(C)Cn1cc(C(C)CNC(=O)OC(C)(C)C)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C25H33N3O2/c1-17(2)15-28-16-22(18(3)14-27-24(29)30-25(4,5)6)21-8-7-20(13-23(21)28)19-9-11-26-12-10-19/h7-13,16-18H,14-15H2,1-6H3,(H,27,29)
InChIKeyUUHMOGZARZJHJV-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.99
Rot. Bonds6

About tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate

tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate (PubChem CID 166912061) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate
PubChem CID166912061
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Nametert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate
SMILESCC(C)Cn1cc(C(C)CNC(=O)OC(C)(C)C)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C25H33N3O2/c1-17(2)15-28-16-22(18(3)14-27-24(29)30-25(4,5)6)21-8-7-20(13-23(21)28)19-9-11-26-12-10-19/h7-13,16-18H,14-15H2,1-6H3,(H,27,29)
InChIKeyUUHMOGZARZJHJV-UHFFFAOYSA-N
XLogP5.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate with MolForge

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Related Compounds

3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole
CID 166911523
tert-butyl N-[2-(4-pyridin-4-ylphenoxy)ethyl]carbamate
CID 176896349
2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide
CID 166911856
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084
tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate
CID 70246888
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylate
CID 25193923
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
tert-butyl N-[(2S)-3-(dimethylamino)-3-oxo-2-[(4-pyridin-4-ylbenzoyl)amino]propyl]carbamate
CID 58893971
tert-butyl N-[3-methyl-2-[(2-pyridin-4-ylethylamino)methyl]butyl]carbamate
CID 107441867
tert-butyl N-[2-[3-[hydroxy(phenyl)methyl]-2-[(4-phenylphenyl)methylamino]phenyl]propyl]carbamate
CID 141003364
1-(2,2-dimethylpropanoyl)-6-pyridin-4-yl-3-[1-(sulfinatoamino)ethyl]indole
CID 166911299

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate (CID 166912061) is tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate is CC(C)Cn1cc(C(C)CNC(=O)OC(C)(C)C)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate?
The InChIKey is UUHMOGZARZJHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-17(2)15-28-16-22(18(3)14-27-24(29)30-25(4,5)6)21-8-7-20(13-23(21)28)19-9-11-26-12-10-19/h7-13,16-18H,14-15H2,1-6H3,(H,27,29).
What are the key properties of tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate?
tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate has a molecular weight of 407.56 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]propyl]carbamate is sourced from PubChem (CID 166912061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).