tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate

C27H33N3O2 — CID 90356827

IUPACtert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cn1
InChIInChI=1S/C27H33N3O2/c1-5-24(29-26(31)32-27(2,3)4)25-17-16-23(18-28-25)30(19-21-12-8-6-9-13-21)20-22-14-10-7-11-15-22/h6-18,24H,5,19-20H2,1-4H3,(H,29,31)
InChIKeyIEUMXXFONUIZAF-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.26
Rot. Bonds8

About tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate

tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate (PubChem CID 90356827) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate
PubChem CID90356827
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Nametert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cn1
InChIInChI=1S/C27H33N3O2/c1-5-24(29-26(31)32-27(2,3)4)25-17-16-23(18-28-25)30(19-21-12-8-6-9-13-21)20-22-14-10-7-11-15-22/h6-18,24H,5,19-20H2,1-4H3,(H,29,31)
InChIKeyIEUMXXFONUIZAF-UHFFFAOYSA-N
XLogP6.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181423
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-1-phenylpropyl]carbamate;dichloromethane
CID 123744820
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110409575
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628
(2R)-2-[benzyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoic acid
CID 170433979
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)-2-phenylethyl]carbamate
CID 123235761
tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
CID 103949133
2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 153367928
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86921437
lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenylmethoxy-2-pyridinyl)acetate
CID 153367842
tert-butyl N-[1-(5-bromo-1H-imidazol-2-yl)-2-phenylethyl]carbamate
CID 77201552

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate (CID 90356827) is tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate is CCC(NC(=O)OC(C)(C)C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cn1.
What is the InChIKey of tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate?
The InChIKey is IEUMXXFONUIZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-5-24(29-26(31)32-27(2,3)4)25-17-16-23(18-28-25)30(19-21-12-8-6-9-13-21)20-22-14-10-7-11-15-22/h6-18,24H,5,19-20H2,1-4H3,(H,29,31).
What are the key properties of tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate?
tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate has a molecular weight of 431.58 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(dibenzylamino)-2-pyridinyl]propyl]carbamate is sourced from PubChem (CID 90356827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).