tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate

C19H31N3O5 — CID 169053084

IUPACtert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate
SMILESCN(CCC(O)c1ccnc(NC(=O)OC(C)(C)C)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H31N3O5/c1-18(2,3)26-16(24)21-15-12-13(8-10-20-15)14(23)9-11-22(7)17(25)27-19(4,5)6/h8,10,12,14,23H,9,11H2,1-7H3,(H,20,21,24)
InChIKeyPHBMGLXQVLWMGP-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.72
Rot. Bonds5

About tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate

tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate (PubChem CID 169053084) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate
PubChem CID169053084
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC Nametert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate
SMILESCN(CCC(O)c1ccnc(NC(=O)OC(C)(C)C)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H31N3O5/c1-18(2,3)26-16(24)21-15-12-13(8-10-20-15)14(23)9-11-22(7)17(25)27-19(4,5)6/h8,10,12,14,23H,9,11H2,1-7H3,(H,20,21,24)
InChIKeyPHBMGLXQVLWMGP-UHFFFAOYSA-N
XLogP3.72
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
tert-butyl N-[3-(4-acetylphenyl)-3-hydroxypropyl]-N-methylcarbamate
CID 139836256
tert-butyl N-[4-(1-bromo-2-oxo-2-phenylethyl)-2-pyridinyl]carbamate;hydrobromide
CID 11712544
tert-butyl N-[4-[(1R)-1-bromo-2-(3,5-dimethylphenyl)-2-oxoethyl]-2-pyridinyl]carbamate
CID 99646792
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
methyl N-(4-propan-2-yl-2-pyridinyl)carbamate
CID 168928521
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830
tert-butyl N-[4-[(1S)-2-methoxy-1-(4,4,4-trifluorobutanoylamino)ethyl]-2-pyridinyl]carbamate
CID 171790633
tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate
CID 171790965
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate
CID 22063539
1-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]butane-1-sulfonic acid
CID 174445090

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate (CID 169053084) is tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate is CN(CCC(O)c1ccnc(NC(=O)OC(C)(C)C)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate?
The InChIKey is PHBMGLXQVLWMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-18(2,3)26-16(24)21-15-12-13(8-10-20-15)14(23)9-11-22(7)17(25)27-19(4,5)6/h8,10,12,14,23H,9,11H2,1-7H3,(H,20,21,24).
What are the key properties of tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate?
tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate has a molecular weight of 381.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate is sourced from PubChem (CID 169053084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).