tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate

C14H21N3O3 — CID 130003117

IUPACtert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C2COCCN2)cn1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-12-5-4-10(8-16-12)11-9-19-7-6-15-11/h4-5,8,11,15H,6-7,9H2,1-3H3,(H,16,17,18)
InChIKeyLHEYWMMIPBFINI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.09
Rot. Bonds2

About tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate

tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate (PubChem CID 130003117) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate
PubChem CID130003117
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C2COCCN2)cn1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-12-5-4-10(8-16-12)11-9-19-7-6-15-11/h4-5,8,11,15H,6-7,9H2,1-3H3,(H,16,17,18)
InChIKeyLHEYWMMIPBFINI-UHFFFAOYSA-N
XLogP2.09
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 145262519
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tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
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tert-butyl N-[4-[(2S)-pyrrolidin-2-yl]phenyl]carbamate
CID 130779938
(3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
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potassium;tert-butyl N-(5-bromo-2-pyridinyl)carbamate;tert-butyl N-[5-(oxan-4-yl)-2-pyridinyl]carbamate;difluoro(oxan-4-yl)borane;fluoride
CID 159363997
4-morpholin-3-ylbenzoic acid
CID 83439810
tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
CID 103823852
tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
CID 86775642
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate (CID 130003117) is tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(C2COCCN2)cn1.
What is the InChIKey of tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate?
The InChIKey is LHEYWMMIPBFINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-12-5-4-10(8-16-12)11-9-19-7-6-15-11/h4-5,8,11,15H,6-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate?
tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate is sourced from PubChem (CID 130003117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).