tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C19H29N3O5 — CID 164751472

IUPACtert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(N)cc1C1CCOC1
InChIInChI=1S/C19H29N3O5/c1-18(2,3)26-16(23)22(17(24)27-19(4,5)6)15-14(9-13(20)10-21-15)12-7-8-25-11-12/h9-10,12H,7-8,11,20H2,1-6H3
InChIKeyZPZUTEXGKCOTEK-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.84
Rot. Bonds2

About tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 164751472) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID164751472
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Nametert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(N)cc1C1CCOC1
InChIInChI=1S/C19H29N3O5/c1-18(2,3)26-16(23)22(17(24)27-19(4,5)6)15-14(9-13(20)10-21-15)12-7-8-25-11-12/h9-10,12H,7-8,11,20H2,1-6H3
InChIKeyZPZUTEXGKCOTEK-UHFFFAOYSA-N
XLogP3.84
TPSA103.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 156651965
CID 156651965
CID 156651967
CID 156651967
CID 157096064
CID 157096064
CID 101855784
CID 101855784
CID 59732481
CID 59732481
CID 67535211
CID 67535211
CID 67535620
CID 67535620
CID 67536360
CID 67536360

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 164751472) is tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(N)cc1C1CCOC1.
What is the InChIKey of tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is ZPZUTEXGKCOTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-18(2,3)26-16(23)22(17(24)27-19(4,5)6)15-14(9-13(20)10-21-15)12-7-8-25-11-12/h9-10,12H,7-8,11,20H2,1-6H3.
What are the key properties of tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 379.46 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-amino-3-(oxolan-3-yl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 164751472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).