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

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

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Related Compounds

tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate
CID 161042218
tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 73213746
tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate
CID 172992700
tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate
CID 86643888
tert-butyl N-[3-cyclopropyl-5-[[2-[(5S)-5-methyl-2-[2-(oxan-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 164752718
tert-butyl N-[5-bromo-3-[3-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 88996126
tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate
CID 131739721
tert-butyl 2,5-diaminopyridine-3-carboxylate
CID 133055490
5-amino-2-(oxolan-3-yloxy)pyridine-3-carboxamide
CID 63559404
tert-butyl 5-amino-3-iodopyridine-2-carboxylate
CID 133060051
tert-butyl N-[8-bromo-6-[(3S)-3-methylmorpholin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 178009170
2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid
CID 115033808

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).